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

Systemtic Name: 4-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)C)C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)C)C5=CC=NC=C5

InChI

InChI=1S/C26H22N4O2S/c1-3-18-5-7-21(8-6-18)30-25(19-10-12-27-13-11-19)28-29-26(30)33-16-20-15-24(31)32-23-14-17(2)4-9-22(20)23/h4-15H,3,16H2,1-2H3