4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CNC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C13H11N3O3S2/c1-14-12-15-16-13(21-12)20-6-7-4-11(18)19-10-5-8(17)2-3-9(7)10/h2-5,17H,6H2,1H3,(H,14,15)