3-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]chromen-2-one

Systemtic Name: 3-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]chromen-2-one Openeye Name: 3-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]chromen-2-one CAS Name: 3-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one Traditional Name: 3-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]coumarin Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=NC=C4

InChI

InChI=1S/C19H14N4O3S/c1-23-17(12-6-8-20-9-7-12)21-22-19(23)27-11-15(24)14-10-13-4-2-3-5-16(13)26-18(14)25/h2-10H,11H2,1H3