3-methyl-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine-2-thione

Systemtic Name: 3-methyl-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine-2-thione Openeye Name: 3-methyl-4-(p-tolyl)-1H-1,3,5-benzotriazepine-2-thione CAS Name: 3-methyl-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine-2-thione IUPAC Name: 3-methyl-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine-2-thione Traditional Name: 3-methyl-4-(p-tolyl)-1H-1,3,5-benzotriazepine-2-thione Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=S)N2C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=S)N2C

InChI

InChI=1S/C16H15N3S/c1-11-7-9-12(10-8-11)15-17-13-5-3-4-6-14(13)18-16(20)19(15)2/h3-10H,1-2H3,(H,18,20)