4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-coumarin Formula: C12H10N4O3S MolecularWeight: 290.2978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C=C2CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2CSC3=NNC(=N3)N

InChI

InChI=1S/C12H10N4O3S/c13-11-14-12(16-15-11)20-5-6-3-10(18)19-9-4-7(17)1-2-8(6)9/h1-4,17H,5H2,(H3,13,14,15,16)