5-(3-nitrophenyl)-3-(phenylmethyl)-1H-benzimidazole-2-thione

Systemtic Name: 5-(3-nitrophenyl)-3-(phenylmethyl)-1H-benzimidazole-2-thione Openeye Name: 3-benzyl-5-(3-nitrophenyl)-1H-benzimidazole-2-thione CAS Name: 5-(3-nitrophenyl)-3-(phenylmethyl)-1H-benzimidazole-2-thione IUPAC Name: 3-benzyl-5-(3-nitrophenyl)-1H-benzimidazole-2-thione Traditional Name: 3-benzyl-5-(3-nitrophenyl)-1H-benzimidazole-2-thione Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])NC2=S

InChI

InChI=1S/C20H15N3O2S/c24-23(25)17-8-4-7-15(11-17)16-9-10-18-19(12-16)22(20(26)21-18)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,26)