4-chloranyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-nitro-benzamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3S/c1-13-3-7-18(11-14(13)2)28-17-8-5-16(6-9-17)23-21(25)15-4-10-19(22)20(12-15)24(26)27/h3-12H,1-2H3,(H,23,25)