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

Systemtic Name: 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H20N4S/c18-11-14-6-3-7-15(10-14)12-22-17-19-16(20-21-17)9-8-13-4-1-2-5-13/h3,6-7,10,13H,1-2,4-5,8-9,12H2,(H,19,20,21)