7-methyl-4-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[4-(2-methylcyclohexyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(2-methylcyclohexyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[4-(2-methylcyclohexyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)C)C5=CN=CC=C5

Isomeric SMILES

CC1CCCCC1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)C)C5=CN=CC=C5

InChI

InChI=1S/C25H26N4O2S/c1-16-9-10-20-19(13-23(30)31-22(20)12-16)15-32-25-28-27-24(18-7-5-11-26-14-18)29(25)21-8-4-3-6-17(21)2/h5,7,9-14,17,21H,3-4,6,8,15H2,1-2H3