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

Systemtic Name: 4-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C23H24N4S MolecularWeight: 388.52846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4S/c24-16-19-11-13-20(14-12-19)17-28-23-26-25-22(15-18-7-3-1-4-8-18)27(23)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,21H,2,5-6,9-10,15,17H2