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

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromanyl-chromen-2-one Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromochromen-2-one Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-coumarin Formula: C12H9BrN4O2S MolecularWeight: 353.19446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC(=O)C=C2CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC2=C(C=C1Br)OC(=O)C=C2CSC3=NNC(=N3)N

InChI

InChI=1S/C12H9BrN4O2S/c13-7-1-2-8-6(3-10(18)19-9(8)4-7)5-20-12-15-11(14)16-17-12/h1-4H,5H2,(H3,14,15,16,17)