4-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-2-carbothioamide

Systemtic Name: 4-oxidanylidene-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-2-carbothioamide Openeye Name: 4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-2-carbothioamide CAS Name: 4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-2-carbothioamide IUPAC Name: 4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(1H-1,2,4-triazol-5-yl)-1H-quinazoline-2-carbothioamide Formula: C11H8N6OS MolecularWeight: 272.28582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC=NN3

InChI

InChI=1S/C11H8N6OS/c18-9-6-3-1-2-4-7(6)14-8(15-9)10(19)16-11-12-5-13-17-11/h1-5H,(H,14,15,18)(H2,12,13,16,17,19)