4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C13H20N4S MolecularWeight: 264.3897

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCCCC#N

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCCCC#N

InChI

InChI=1S/C13H20N4S/c14-9-3-4-10-18-13-15-12(16-17-13)8-7-11-5-1-2-6-11/h11H,1-8,10H2,(H,15,16,17)