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

Systemtic Name: 6-ethyl-4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=NC=C5)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=NC=C5)O

InChI

InChI=1S/C26H22N4O4S/c1-3-16-12-21-18(13-24(32)34-23(21)14-22(16)31)15-35-26-29-28-25(17-8-10-27-11-9-17)30(26)19-4-6-20(33-2)7-5-19/h4-14,31H,3,15H2,1-2H3