4-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C5=CN=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C5=CN=CC=C5

InChI

InChI=1S/C29H28N4O3S/c1-5-35-23-10-8-22(9-11-23)33-28(20-7-6-12-30-16-20)31-32-29(33)37-17-21-14-27(34)36-26-13-19(4)24(18(2)3)15-25(21)26/h6-16,18H,5,17H2,1-4H3