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

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-(methylamino)-3-nitro-benzamide Formula: C19H26N6O3S MolecularWeight: 418.51314

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCCCC2=NN=C(N2C3CCCC3)SC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCCCC2=NN=C(N2C3CCCC3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O3S/c1-20-15-10-9-13(12-16(15)25(27)28)18(26)21-11-5-8-17-22-23-19(29-2)24(17)14-6-3-4-7-14/h9-10,12,14,20H,3-8,11H2,1-2H3,(H,21,26)