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

Systemtic Name: 7-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one CAS Name: 7-ethyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-ethyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarin Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NN3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NN3

InChI

InChI=1S/C14H13N3O2S/c1-2-9-3-4-11-10(6-13(18)19-12(11)5-9)7-20-14-15-8-16-17-14/h3-6,8H,2,7H2,1H3,(H,15,16,17)