4-(4-oxidanylidenequinazolin-3-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide Openeye Name: 4-(4-oxoquinazolin-3-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)butanamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide IUPAC Name: 4-(4-oxoquinazolin-3-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)butyramide Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NN3C=NNC3=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NN3C=NNC3=S

InChI

InChI=1S/C14H14N6O2S/c21-12(18-20-9-16-17-14(20)23)6-3-7-19-8-15-11-5-2-1-4-10(11)13(19)22/h1-2,4-5,8-9H,3,6-7H2,(H,17,23)(H,18,21)