5-(4-methylphenyl)sulfanyl-2-phenyl-3H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-methylphenyl)sulfanyl-2-phenyl-3H-1,3,4-benzotriazepine Openeye Name: 2-phenyl-5-(p-tolylsulfanyl)-3H-1,3,4-benzotriazepine CAS Name: 5-[(4-methylphenyl)thio]-2-phenyl-3H-1,3,4-benzotriazepine IUPAC Name: 5-(4-methylphenyl)sulfanyl-2-phenyl-3H-1,3,4-benzotriazepine Traditional Name: 2-phenyl-5-(p-tolylthio)-3H-1,3,4-benzotriazepine Formula: C21H17N3S MolecularWeight: 343.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NNC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NNC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3S/c1-15-11-13-17(14-12-15)25-21-18-9-5-6-10-19(18)22-20(23-24-21)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23)