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

Systemtic Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[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(=C3)C#N)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)CC4=CC=CS4

InChI

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