4-(4-methylphenyl)sulfanyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 3-nitro-4-(p-tolylsulfanyl)-N-(2-pyridylmethyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 3-nitro-4-(p-tolylthio)-N-(2-pyridylmethyl)benzamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3S/c1-14-5-8-17(9-6-14)27-19-10-7-15(12-18(19)23(25)26)20(24)22-13-16-4-2-3-11-21-16/h2-12H,13H2,1H3,(H,22,24)