N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitro-benzamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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