6,7-bis(oxidanyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-bis(oxidanyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dihydroxy-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dihydroxy-4-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dihydroxy-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dihydroxy-4-[[(1-phenyltetrazol-5-yl)thio]methyl]coumarin Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)O)O

InChI

InChI=1S/C17H12N4O4S/c22-13-7-12-10(6-16(24)25-15(12)8-14(13)23)9-26-17-18-19-20-21(17)11-4-2-1-3-5-11/h1-8,22-23H,9H2