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

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)N

InChI

InChI=1S/C13H12N4O3S/c1-19-8-2-3-9-7(4-11(18)20-10(9)5-8)6-21-13-15-12(14)16-17-13/h2-5H,6H2,1H3,(H3,14,15,16,17)