methyl 2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H20ClN5O3S MolecularWeight: 469.9439

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5O3S/c1-3-10-28-19(13-4-7-15(23)8-5-13)26-27-22(28)32-12-18-24-17-11-14(21(30)31-2)6-9-16(17)20(29)25-18/h4-9,11H,3,10,12H2,1-2H3,(H,24,25,29)