6-ethyl-7-oxidanyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl]coumarin Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN4C=CC=NC4=N3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN4C=CC=NC4=N3)O

InChI

InChI=1S/C17H14N4O3S/c1-2-10-6-12-11(7-15(23)24-14(12)8-13(10)22)9-25-17-19-16-18-4-3-5-21(16)20-17/h3-8,22H,2,9H2,1H3