N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-nitro-4-(p-tolylthio)benzamide Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O5S/c1-13-2-6-16(7-3-13)29-20-9-4-14(10-17(20)23(25)26)21(24)22-15-5-8-18-19(11-15)28-12-27-18/h2-11H,12H2,1H3,(H,22,24)