4-[3-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]propoxy]benzoic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=NC2=O)SCCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N3O4S/c23-17-16(13-5-2-1-3-6-13)21-22-19(20-17)27-12-4-11-26-15-9-7-14(8-10-15)18(24)25/h1-3,5-10H,4,11-12H2,(H,24,25)(H,20,22,23)