N-(2-chloranyl-4-methyl-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(2-chloro-4-methylphenyl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(2-chloro-4-methylphenyl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-4-(isoamylthio)-3-nitro-benzamide Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O3S/c1-12(2)8-9-26-18-7-5-14(11-17(18)22(24)25)19(23)21-16-6-4-13(3)10-15(16)20/h4-7,10-12H,8-9H2,1-3H3,(H,21,23)