7,8-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7,8-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Openeye Name: 7,8-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one CAS Name: 7,8-dimethyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Traditional Name: 7,8-dimethyl-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:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NN3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NN3)C

InChI

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