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

Systemtic Name: 2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylate Formula: C19H14N5O3S2- MolecularWeight: 424.47616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C19H15N5O3S2/c1-10-2-5-12(6-3-10)20-18-23-24-19(29-18)28-9-15-21-14-8-11(17(26)27)4-7-13(14)16(25)22-15/h2-8H,9H2,1H3,(H,20,23)(H,26,27)(H,21,22,25)/p-1