5,7-bis(methoxysulfanyl)-3-(1H-1,2,4-triazol-5-yl)chromen-2-one

Systemtic Name: 5,7-bis(methoxysulfanyl)-3-(1H-1,2,4-triazol-5-yl)chromen-2-one Openeye Name: 5,7-bis(methoxysulfanyl)-3-(1H-1,2,4-triazol-5-yl)chromen-2-one CAS Name: 2-oxo-3-(1H-1,2,4-triazol-5-yl)-1-benzopyran-5,7-disulfenic acid dimethyl ester IUPAC Name: 5,7-bis(methoxysulfanyl)-3-(1H-1,2,4-triazol-5-yl)chromen-2-one Traditional Name: 5,7-bis(methoxythio)-3-(1H-1,2,4-triazol-5-yl)coumarin Formula: C13H11N3O4S2 MolecularWeight: 337.37414

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Descriptors Computed from Structure

Canonical SMILES:

COSC1=CC(=C2C=C(C(=O)OC2=C1)C3=NC=NN3)SOC

Isomeric SMILES

COSC1=CC(=C2C=C(C(=O)OC2=C1)C3=NC=NN3)SOC

InChI

InChI=1S/C13H11N3O4S2/c1-18-21-7-3-10-8(11(4-7)22-19-2)5-9(13(17)20-10)12-14-6-15-16-12/h3-6H,1-2H3,(H,14,15,16)