5-oxidanylidene-2-phenylazanyl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

Systemtic Name: 5-oxidanylidene-2-phenylazanyl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Openeye Name: 2-anilino-5-oxo-N-(2-thienylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide CAS Name: 2-anilino-5-oxo-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide IUPAC Name: 2-anilino-5-oxo-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Traditional Name: 2-anilino-5-keto-N-(2-thenyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Formula: C21H15N5O2S2 MolecularWeight: 433.5061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CS5)N=C3S2

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CC=CS5)N=C3S2

InChI

InChI=1S/C21H15N5O2S2/c27-18(22-12-15-7-4-10-29-15)13-8-9-16-17(11-13)24-21-26(19(16)28)25-20(30-21)23-14-5-2-1-3-6-14/h1-11H,12H2,(H,22,27)(H,23,25)