1,3-dimethyl-5-(4-methylphenyl)sulfanyl-6-nitro-benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-(4-methylphenyl)sulfanyl-6-nitro-benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-nitro-6-(p-tolylsulfanyl)benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[(4-methylphenyl)thio]-6-nitro-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-(4-methylphenyl)sulfanyl-6-nitrobenzimidazol-2-one Traditional Name: 1,3-dimethyl-5-nitro-6-(p-tolylthio)benzimidazol-2-one Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C3C(=C2)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O3S/c1-10-4-6-11(7-5-10)23-15-9-13-12(8-14(15)19(21)22)17(2)16(20)18(13)3/h4-9H,1-3H3