2-[[5-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[[(4-oxo-3-phenyl-2-quinazolinyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[[(4-keto-3-phenyl-quinazolin-2-yl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C25H19N5O3S2 MolecularWeight: 501.58006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C25H19N5O3S2/c31-22(32)16-35-25-28-27-21(29(25)17-9-3-1-4-10-17)15-34-24-26-20-14-8-7-13-19(20)23(33)30(24)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,31,32)