N-(2-methyl-5-nitro-phenyl)-4-(phenylsulfanylmethyl)benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-(phenylsulfanylmethyl)benzamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-4-(phenylsulfanylmethyl)benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-[(phenylthio)methyl]benzamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-(phenylsulfanylmethyl)benzamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-4-[(phenylthio)methyl]benzamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c1-15-7-12-18(23(25)26)13-20(15)22-21(24)17-10-8-16(9-11-17)14-27-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,22,24)