2-ethenyl-4-[(3E)-2-(4-methoxyphenyl)sulfanyl-3-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]-1,3,3-trimethyl-indol-1-ium

Systemtic Name: 2-ethenyl-4-[(3E)-2-(4-methoxyphenyl)sulfanyl-3-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]-1,3,3-trimethyl-indol-1-ium Openeye Name: 4-[(3E)-2-(4-methoxyphenyl)sulfanyl-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexen-1-yl]-1,3,3-trimethyl-2-vinyl-indol-1-ium CAS Name: 2-ethenyl-4-[(3E)-2-[(4-methoxyphenyl)thio]-3-[(2E)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-1-cyclohexenyl]-1,3,3-trimethylindol-1-ium IUPAC Name: 2-ethenyl-4-[(3E)-2-(4-methoxyphenyl)sulfanyl-3-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]-1,3,3-trimethylindol-1-ium Traditional Name: 4-[(3E)-2-[(4-methoxyphenyl)thio]-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexen-1-yl]-1,3,3-trimethyl-2-vinyl-indol-1-ium Formula: C39H43N2OS+ MolecularWeight: 587.83652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC=C3CCCC(=C3SC4=CC=C(C=C4)OC)C5=C6C(=CC=C5)[N+](=C(C6(C)C)C=C)C)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C/C=C/3\CCCC(=C3SC4=CC=C(C=C4)OC)C5=C6C(=CC=C5)[N+](=C(C6(C)C)C=C)C)C)C

InChI

InChI=1S/C39H43N2OS/c1-9-34-39(4,5)36-29(15-13-19-33(36)41(34)7)30-16-12-14-26(37(30)43-28-23-21-27(42-8)22-24-28)20-25-35-38(2,3)31-17-10-11-18-32(31)40(35)6/h9-11,13,15,17-25H,1,12,14,16H2,2-8H3/q+1/b26-20+,35-25+