3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C13H11N6O2S- MolecularWeight: 315.33044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=NC3=NC=NN3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C13H12N6O2S/c20-10(17-12-14-7-15-18-12)5-6-19-11(21)8-3-1-2-4-9(8)16-13(19)22/h1-4,7H,5-6H2,(H,16,22)(H2,14,15,17,18,20)/p-1