4-chloranyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(m-tolylmethylsulfanyl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-[(3-methylphenyl)methylthio]ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-[(3-methylbenzyl)thio]ethyl]-3-nitro-benzamide Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O3S/c1-12-3-2-4-13(9-12)11-24-8-7-19-17(21)14-5-6-15(18)16(10-14)20(22)23/h2-6,9-10H,7-8,11H2,1H3,(H,19,21)