4-(3-methylbutylsulfanyl)-N-(1-methylpyrazol-4-yl)-3-nitro-benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-(1-methylpyrazol-4-yl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-(1-methylpyrazol-4-yl)-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-(1-methyl-4-pyrazolyl)-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-(1-methylpyrazol-4-yl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(1-methylpyrazol-4-yl)-3-nitro-benzamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3S/c1-11(2)6-7-24-15-5-4-12(8-14(15)20(22)23)16(21)18-13-9-17-19(3)10-13/h4-5,8-11H,6-7H2,1-3H3,(H,18,21)