4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=NC(=NN2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(C1)CC2=NC(=NN2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H18N4S/c17-10-13-5-7-14(8-6-13)11-21-16-18-15(19-20-16)9-12-3-1-2-4-12/h5-8,12H,1-4,9,11H2,(H,18,19,20)