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

Systemtic Name: 4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitro-benzamide Openeye Name: 4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitro-benzamide CAS Name: 4-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-nitrobenzamide IUPAC Name: 4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitrobenzamide Traditional Name: 4-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-nitro-benzamide Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3S/c1-28-18-22-21-16(23(18)13-5-2-3-6-13)7-4-10-20-14-9-8-12(17(19)25)11-15(14)24(26)27/h8-9,11,13,20H,2-7,10H2,1H3,(H2,19,25)