[(Z)-cyano-(3-methyl-4-oxidanylidene-1H-quinazolin-2-ylidene)methyl] carbamimidothioate

Systemtic Name: [(Z)-cyano-(3-methyl-4-oxidanylidene-1H-quinazolin-2-ylidene)methyl] carbamimidothioate Openeye Name: 2-[(Z)-cyano-(3-methyl-4-oxo-1H-quinazolin-2-ylidene)methyl]isothiourea CAS Name: carbamimidothioic acid [(Z)-cyano-(3-methyl-4-oxo-1H-quinazolin-2-ylidene)methyl] ester IUPAC Name: [(Z)-cyano-(3-methyl-4-oxo-1H-quinazolin-2-ylidene)methyl] carbamimidothioate Traditional Name: 2-[(Z)-cyano-(4-keto-3-methyl-1H-quinazolin-2-ylidene)methyl]isothiourea Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2NC1=C(C#N)SC(=N)N

Isomeric SMILES

CN\1C(=O)C2=CC=CC=C2N/C1=C(\C#N)/SC(=N)N

InChI

InChI=1S/C12H11N5OS/c1-17-10(9(6-13)19-12(14)15)16-8-5-3-2-4-7(8)11(17)18/h2-5,16H,1H3,(H3,14,15)/b10-9-