3-(3-nitro-1,2,4-triazol-1-yl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(4-keto-2-thioxo-1H-quinazolin-3-yl)-3-(3-nitro-1,2,4-triazol-1-yl)propionamide Formula: C13H11N7O4S MolecularWeight: 361.33594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)CCN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)CCN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N7O4S/c21-10(5-6-18-7-14-12(17-18)20(23)24)16-19-11(22)8-3-1-2-4-9(8)15-13(19)25/h1-4,7H,5-6H2,(H,15,25)(H,16,21)