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

Systemtic Name: 4-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-bis(oxidanyl)chromen-2-one Openeye Name: 4-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dihydroxy-chromen-2-one CAS Name: 4-[[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dihydroxychromen-2-one Traditional Name: 4-[[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dihydroxy-coumarin Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NN=C(N2N)SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

Isomeric SMILES

C1=CN=CC=C1C2=NN=C(N2N)SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

InChI

InChI=1S/C17H13N5O4S/c18-22-16(9-1-3-19-4-2-9)20-21-17(22)27-8-10-5-15(25)26-14-7-13(24)12(23)6-11(10)14/h1-7,23-24H,8,18H2