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

Systemtic Name: methyl 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4=CC(=CC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H21N5O3S/c1-4-27-19(14-7-5-6-13(2)10-14)25-26-22(27)31-12-18-23-17-11-15(21(29)30-3)8-9-16(17)20(28)24-18/h5-11H,4,12H2,1-3H3,(H,23,24,28)