N-(cyanomethyl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(cyanomethyl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(cyanomethyl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(cyanomethyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(cyanomethyl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(cyanomethyl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C11H8N4OS MolecularWeight: 244.27242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NCC#N

InChI

InChI=1S/C11H8N4OS/c12-5-6-13-11(17)9-14-8-4-2-1-3-7(8)10(16)15-9/h1-4H,6H2,(H,13,17)(H,14,15,16)