1-[2-(phenylmethylsulfanyl)cyclohexa-1,5-dien-1-yl]benzotriazole

Systemtic Name: 1-[2-(phenylmethylsulfanyl)cyclohexa-1,5-dien-1-yl]benzotriazole Openeye Name: 1-(2-benzylsulfanylcyclohexa-1,5-dien-1-yl)benzotriazole CAS Name: 1-[2-(phenylmethylthio)-1-cyclohexa-1,5-dienyl]benzotriazole IUPAC Name: 1-(2-benzylsulfanylcyclohexa-1,5-dien-1-yl)benzotriazole Traditional Name: 1-[2-(benzylthio)cyclohexa-1,5-dien-1-yl]benzotriazole Formula: C19H17N3S MolecularWeight: 319.42338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)N2C3=CC=CC=C3N=N2)SCC4=CC=CC=C4

Isomeric SMILES

C1CC(=C(C=C1)N2C3=CC=CC=C3N=N2)SCC4=CC=CC=C4

InChI

InChI=1S/C19H17N3S/c1-2-8-15(9-3-1)14-23-19-13-7-6-12-18(19)22-17-11-5-4-10-16(17)20-21-22/h1-6,8-12H,7,13-14H2