4-(3-nitrophenyl)-3-(phenylmethyl)-1H-imidazole-2-thione

Systemtic Name: 4-(3-nitrophenyl)-3-(phenylmethyl)-1H-imidazole-2-thione Openeye Name: 3-benzyl-4-(3-nitrophenyl)-1H-imidazole-2-thione CAS Name: 4-(3-nitrophenyl)-3-(phenylmethyl)-1H-imidazole-2-thione IUPAC Name: 3-benzyl-4-(3-nitrophenyl)-1H-imidazole-2-thione Traditional Name: 1-benzyl-5-(3-nitrophenyl)-4-imidazoline-2-thione Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CNC2=S)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c20-19(21)14-8-4-7-13(9-14)15-10-17-16(22)18(15)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,17,22)