2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SC3CCCCC3=O)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SC3CCCCC3=O)C4=CC=NC=C4

InChI

InChI=1S/C20H20N4O2S/c1-26-16-8-6-15(7-9-16)24-19(14-10-12-21-13-11-14)22-23-20(24)27-18-5-3-2-4-17(18)25/h6-13,18H,2-5H2,1H3