3-ethyl-5-methylsulfanyl-2-[(E)-(7-methyl-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-5-methylsulfanyl-2-[(E)-(7-methyl-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-5-methylsulfanyl-2-[(E)-(7-methyl-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[(E)-(7-methyl-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-5-(methylthio)-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-5-methylsulfanyl-2-[(E)-(7-methyl-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[(E)-(7-methyl-3,4,5,6-tetrahydro-1H-naphthalen-2-ylidene)methyl]-5-(methylthio)-1,3-benzothiazol-3-ium Formula: C22H26NS2+ MolecularWeight: 368.57854

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)SC)C=C3CCC4=C(C3)C=C(CC4)C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)SC)/C=C/3\CCC4=C(C3)C=C(CC4)C

InChI

InChI=1S/C22H26NS2/c1-4-23-20-14-19(24-3)9-10-21(20)25-22(23)13-16-6-8-17-7-5-15(2)11-18(17)12-16/h9-11,13-14H,4-8,12H2,1-3H3/q+1/b16-13+