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

Systemtic Name: 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitro-benzamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O3S/c1-15-8-10-18(13-21(15)24(26)27)22(25)23-20-11-9-17(12-16(20)2)14-28-19-6-4-3-5-7-19/h3-13H,14H2,1-2H3,(H,23,25)