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

Systemtic Name: 2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-5-nitro-benzonitrile CAS Name: 2-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-5-nitrobenzonitrile IUPAC Name: 2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-5-nitrobenzonitrile Traditional Name: 2-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-5-nitro-benzonitrile Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2S/c1-27-18-22-21-17(23(18)14-5-2-3-6-14)7-4-10-20-16-9-8-15(24(25)26)11-13(16)12-19/h8-9,11,14,20H,2-7,10H2,1H3