2-[[5-(7-chloranyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(7-chloranyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(7-chloro-2-methyl-4-oxo-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(7-chloro-2-methyl-4-oxo-3-quinazolinyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(7-chloro-4-keto-2-methyl-quinazolin-3-yl)-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C13H9ClN4O3S2 MolecularWeight: 368.81856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=NN=C(S3)SCC(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=NN=C(S3)SCC(=O)O

InChI

InChI=1S/C13H9ClN4O3S2/c1-6-15-9-4-7(14)2-3-8(9)11(21)18(6)12-16-17-13(23-12)22-5-10(19)20/h2-4H,5H2,1H3,(H,19,20)