N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[3-(hydroxymethyl)phenyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[3-(hydroxymethyl)phenyl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(3-methylolphenyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-14-5-8-18(9-6-14)28-20-10-7-16(12-19(20)23(26)27)21(25)22-17-4-2-3-15(11-17)13-24/h2-12,24H,13H2,1H3,(H,22,25)