3-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine

Systemtic Name: 3-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Openeye Name: 3-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine CAS Name: 3-[[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine IUPAC Name: 3-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine Traditional Name: 3-[[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]pyridine Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3CCCCC3)SCC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3CCCCC3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H28N4O3S/c1-28-19-12-17(13-20(29-2)21(19)30-3)22-25-26-23(27(22)18-9-5-4-6-10-18)31-15-16-8-7-11-24-14-16/h7-8,11-14,18H,4-6,9-10,15H2,1-3H3