N-(3,4-dimethylphenyl)-3-nitro-4-pyridin-2-ylsulfanyl-benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-3-nitro-4-pyridin-2-ylsulfanyl-benzamide Openeye Name: N-(3,4-dimethylphenyl)-3-nitro-4-(2-pyridylsulfanyl)benzamide CAS Name: N-(3,4-dimethylphenyl)-3-nitro-4-(2-pyridinylthio)benzamide IUPAC Name: N-(3,4-dimethylphenyl)-3-nitro-4-pyridin-2-ylsulfanylbenzamide Traditional Name: N-(3,4-dimethylphenyl)-3-nitro-4-(2-pyridylthio)benzamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C20H17N3O3S/c1-13-6-8-16(11-14(13)2)22-20(24)15-7-9-18(17(12-15)23(25)26)27-19-5-3-4-10-21-19/h3-12H,1-2H3,(H,22,24)