N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-1H-quinazoline-2-carbothioamide Formula: C12H10N6OS2 MolecularWeight: 318.3774

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CSC1=NNC(=N1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C12H10N6OS2/c1-21-12-16-11(17-18-12)15-10(20)8-13-7-5-3-2-4-6(7)9(19)14-8/h2-5H,1H3,(H,13,14,19)(H2,15,16,17,18,20)