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

Systemtic Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C15H16N4S MolecularWeight: 284.37934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C15H16N4S/c16-9-11-4-3-5-12(8-11)10-20-15-17-14(18-19-15)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,10H2,(H,17,18,19)