ethyl 2-[[5-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19N5O3S2/c1-2-29-18(27)13-31-21-25-24-17(26(21)14-8-4-3-5-9-14)12-30-20-22-16-11-7-6-10-15(16)19(28)23-20/h3-11H,2,12-13H2,1H3,(H,22,23,28)