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

Systemtic Name: 5,7-bis(methoxysulfanyl)-3-(1H-pyrazol-5-yl)chromen-2-one Openeye Name: 5,7-bis(methoxysulfanyl)-3-(1H-pyrazol-5-yl)chromen-2-one CAS Name: 2-oxo-3-(1H-pyrazol-5-yl)-1-benzopyran-5,7-disulfenic acid dimethyl ester IUPAC Name: 5,7-bis(methoxysulfanyl)-3-(1H-pyrazol-5-yl)chromen-2-one Traditional Name: 5,7-bis(methoxythio)-3-(1H-pyrazol-5-yl)coumarin Formula: C14H12N2O4S2 MolecularWeight: 336.38608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4S2/c1-18-21-8-5-12-10(13(6-8)22-19-2)7-9(14(17)20-12)11-3-4-15-16-11/h3-7H,1-2H3,(H,15,16)