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

Systemtic Name: 7-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C4=CC=NC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C4=CC=NC=C4)C(C)C

InChI

InChI=1S/C21H20N4O2S/c1-12(2)16-10-17-15(9-19(26)27-18(17)8-13(16)3)11-28-21-23-20(24-25-21)14-4-6-22-7-5-14/h4-10,12H,11H2,1-3H3,(H,23,24,25)