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

Systemtic Name: 4-oxidanylidene-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C18H12N5O3S2- MolecularWeight: 410.44958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O3S2/c24-15-12-7-6-10(16(25)26)8-13(12)20-14(21-15)9-27-18-23-22-17(28-18)19-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,22)(H,25,26)(H,20,21,24)/p-1