N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-2-carbothioamide Formula: C12H9N5OS2 MolecularWeight: 303.36276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=NN=C(S1)NC(=S)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C12H9N5OS2/c1-6-16-17-12(20-6)15-11(19)9-13-8-5-3-2-4-7(8)10(18)14-9/h2-5H,1H3,(H,13,14,18)(H,15,17,19)