[1-(benzotriazol-1-ylmethylsulfanyl)-1-(4-methoxyphenyl)-2-(4-methylphenyl)ethyl] 4-methoxybenzenecarbodithioate

Systemtic Name: [1-(benzotriazol-1-ylmethylsulfanyl)-1-(4-methoxyphenyl)-2-(4-methylphenyl)ethyl] 4-methoxybenzenecarbodithioate Openeye Name: [1-(benzotriazol-1-ylmethylsulfanyl)-1-(4-methoxyphenyl)-2-(p-tolyl)ethyl] 4-methoxybenzenecarbodithioate CAS Name: 4-methoxybenzenecarbodithioic acid [1-(1-benzotriazolylmethylthio)-1-(4-methoxyphenyl)-2-(4-methylphenyl)ethyl] ester IUPAC Name: [1-(benzotriazol-1-ylmethylsulfanyl)-1-(4-methoxyphenyl)-2-(4-methylphenyl)ethyl] 4-methoxybenzenecarbodithioate Traditional Name: 4-methoxybenzenecarbodithioic acid [1-(benzotriazol-1-ylmethylthio)-1-(4-methoxyphenyl)-2-(p-tolyl)ethyl] ester Formula: C31H29N3O2S3 MolecularWeight: 571.77586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC)(SCN3C4=CC=CC=C4N=N3)SC(=S)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC)(SCN3C4=CC=CC=C4N=N3)SC(=S)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H29N3O2S3/c1-22-8-10-23(11-9-22)20-31(25-14-18-27(36-3)19-15-25,39-30(37)24-12-16-26(35-2)17-13-24)38-21-34-29-7-5-4-6-28(29)32-33-34/h4-19H,20-21H2,1-3H3