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

Systemtic Name: 2-ethenyl-1,3,3-trimethyl-4-[(3E)-2-phenylsulfanyl-3-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]indol-1-ium Openeye Name: 1,3,3-trimethyl-4-[(3E)-2-phenylsulfanyl-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexen-1-yl]-2-vinyl-indol-1-ium CAS Name: 2-ethenyl-1,3,3-trimethyl-4-[(3E)-2-(phenylthio)-3-[(2E)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-1-cyclohexenyl]indol-1-ium IUPAC Name: 2-ethenyl-1,3,3-trimethyl-4-[(3E)-2-phenylsulfanyl-3-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]indol-1-ium Traditional Name: 1,3,3-trimethyl-4-[(3E)-2-(phenylthio)-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexen-1-yl]-2-vinyl-indol-1-ium Formula: C38H41N2S+ MolecularWeight: 557.81054

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C38H41N2S/c1-8-33-38(4,5)35-28(19-15-23-32(35)40(33)7)29-20-14-16-26(36(29)41-27-17-10-9-11-18-27)24-25-34-37(2,3)30-21-12-13-22-31(30)39(34)6/h8-13,15,17-19,21-25H,1,14,16,20H2,2-7H3/q+1/b26-24+,34-25+