4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-2-thioxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-thioxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-7-carboxamide Formula: C14H12N6O2S MolecularWeight: 328.34908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=NC=NN3)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=NC=NN3)NC1=S

InChI

InChI=1S/C14H12N6O2S/c1-2-5-20-12(22)9-4-3-8(6-10(9)17-14(20)23)11(21)18-13-15-7-16-19-13/h2-4,6-7H,1,5H2,(H,17,23)(H2,15,16,18,19,21)