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

Systemtic Name: 4-chloranyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-3-nitro-benzamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3S/c1-14-11-15(13-28-17-5-3-2-4-6-17)7-10-19(14)23-21(25)16-8-9-18(22)20(12-16)24(26)27/h2-12H,13H2,1H3,(H,23,25)