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

Systemtic Name: 8-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C)C4=CC=NC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C)C4=CC=NC=C4)O

InChI

InChI=1S/C19H16N4O3S/c1-11-15(24)4-3-14-13(9-16(25)26-17(11)14)10-27-19-22-21-18(23(19)2)12-5-7-20-8-6-12/h3-9,24H,10H2,1-2H3