4-(3-methylbutylsulfanyl)-N-(4-methylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-(4-methylphenyl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-(p-tolyl)benzamide CAS Name: 4-(3-methylbutylthio)-N-(4-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-(4-methylphenyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-(p-tolyl)benzamide Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-13(2)10-11-25-18-9-6-15(12-17(18)21(23)24)19(22)20-16-7-4-14(3)5-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,20,22)