ethyl 2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=NN3

InChI

InChI=1S/C14H13N5O3S/c1-2-22-11(20)7-23-14-17-10-6-4-3-5-9(10)12(21)19(14)13-15-8-16-18-13/h3-6,8H,2,7H2,1H3,(H,15,16,18)