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

Systemtic Name: 1-[4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-nitro-phenyl]ethanone Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S/c1-13(25)14-9-10-16(17(12-14)24(26)27)20-11-5-8-18-21-22-19(28-2)23(18)15-6-3-4-7-15/h9-10,12,15,20H,3-8,11H2,1-2H3