2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H20N4S2 MolecularWeight: 332.4868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C16H20N4S2/c1-12(11-17)22-16-19-18-15(10-14-8-5-9-21-14)20(16)13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10H2,1H3