4-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)N5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)N5CCCCC5

InChI

InChI=1S/C24H24N4O4S/c1-31-20-8-4-3-7-19(20)28-23(27-11-5-2-6-12-27)25-26-24(28)33-15-16-13-22(30)32-21-14-17(29)9-10-18(16)21/h3-4,7-10,13-14,29H,2,5-6,11-12,15H2,1H3