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

Systemtic Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C12H18N4S MolecularWeight: 250.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=NC(=NN2)SCCCC#N

Isomeric SMILES

C1CCC(C1)CC2=NC(=NN2)SCCCC#N

InChI

InChI=1S/C12H18N4S/c13-7-3-4-8-17-12-14-11(15-16-12)9-10-5-1-2-6-10/h10H,1-6,8-9H2,(H,14,15,16)