4-chloranyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-nitro-benzamide Formula: C17H22ClN5O3S MolecularWeight: 411.90628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC)CCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=NN=C1SC)CCCNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H22ClN5O3S/c1-11(2)10-22-15(20-21-17(22)27-3)5-4-8-19-16(24)12-6-7-13(18)14(9-12)23(25)26/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,24)