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

Systemtic Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H22N4S2 MolecularWeight: 394.55618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CC4=CC=CS4

InChI

InChI=1S/C21H22N4S2/c22-14-16-7-4-5-8-17(16)15-27-21-24-23-20(13-19-11-6-12-26-19)25(21)18-9-2-1-3-10-18/h4-8,11-12,18H,1-3,9-10,13,15H2