4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-bis(oxidanyl)chromen-2-one Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dihydroxy-chromen-2-one CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-6,7-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dihydroxychromen-2-one Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-6,7-dihydroxy-coumarin Formula: C12H10N4O4S MolecularWeight: 306.2972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=CC(=C(C=C2OC1=O)O)O)CSC3=NNC(=N3)N

Isomeric SMILES

C1=C(C2=CC(=C(C=C2OC1=O)O)O)CSC3=NNC(=N3)N

InChI

InChI=1S/C12H10N4O4S/c13-11-14-12(16-15-11)21-4-5-1-10(19)20-9-3-8(18)7(17)2-6(5)9/h1-3,17-18H,4H2,(H3,13,14,15,16)