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

Systemtic Name: 3-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-cyclohexyl-5-(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)C2=NN=C(N2C3CCCCC3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=CC(=C4)C#N

InChI

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