3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H14N4S2 MolecularWeight: 326.43916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=CN2CCC3=CC=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=CN2CCC3=CC=CS3)C#N

InChI

InChI=1S/C16H14N4S2/c17-10-13-3-1-4-14(9-13)11-22-16-19-18-12-20(16)7-6-15-5-2-8-21-15/h1-5,8-9,12H,6-7,11H2