methyl 2-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H19N5O3S2/c1-3-12-4-7-14(8-5-12)22-20-25-26-21(31-20)30-11-17-23-16-10-13(19(28)29-2)6-9-15(16)18(27)24-17/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24,27)