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

Systemtic Name: [4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-nitro-phenyl]-phenyl-methanone Formula: C24H27N5O3S MolecularWeight: 465.56788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3S/c1-33-24-27-26-22(28(24)19-10-5-6-11-19)12-7-15-25-20-14-13-18(16-21(20)29(31)32)23(30)17-8-3-2-4-9-17/h2-4,8-9,13-14,16,19,25H,5-7,10-12,15H2,1H3