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

Systemtic Name: 7-methyl-4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C5=CC=NC=C5

InChI

InChI=1S/C28H26N4O2S/c1-17(2)22-15-23-21(14-26(33)34-25(23)13-19(22)4)16-35-28-31-30-27(20-9-11-29-12-10-20)32(28)24-8-6-5-7-18(24)3/h5-15,17H,16H2,1-4H3