6-ethyl-7-oxidanyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarin Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=NN3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=NN3)O

InChI

InChI=1S/C14H13N3O3S/c1-2-8-3-10-9(6-21-14-15-7-16-17-14)4-13(19)20-12(10)5-11(8)18/h3-5,7,18H,2,6H2,1H3,(H,15,16,17)