4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,5-bis(oxidanyl)benzaldehyde

Systemtic Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,5-bis(oxidanyl)benzaldehyde Openeye Name: 2,5-dihydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzaldehyde CAS Name: 2,5-dihydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]benzaldehyde IUPAC Name: 2,5-dihydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzaldehyde Traditional Name: 2,5-dihydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]benzaldehyde Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C(=C2)O)C=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C(=C2)O)C=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O3S/c1-19-15(10-5-3-2-4-6-10)17-18-16(19)23-14-8-12(21)11(9-20)7-13(14)22/h2-9,21-22H,1H3