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

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[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=C3C#N

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC=CC=C3C#N

InChI

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