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

Systemtic Name: 3-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4CCCCC4

InChI

InChI=1S/C23H24N4OS/c1-28-21-12-10-20(11-13-21)27-22(19-8-3-2-4-9-19)25-26-23(27)29-16-18-7-5-6-17(14-18)15-24/h5-7,10-14,19H,2-4,8-9,16H2,1H3