(4-cyano-5,6-diphenyl-pyridazin-3-yl) carbamimidothioate

Systemtic Name: (4-cyano-5,6-diphenyl-pyridazin-3-yl) carbamimidothioate Openeye Name: 2-(4-cyano-5,6-diphenyl-pyridazin-3-yl)isothiourea CAS Name: carbamimidothioic acid (4-cyano-5,6-diphenyl-3-pyridazinyl) ester IUPAC Name: (4-cyano-5,6-diphenylpyridazin-3-yl) carbamimidothioate Traditional Name: 2-(4-cyano-5,6-diphenyl-pyridazin-3-yl)isothiourea Formula: C18H13N5S MolecularWeight: 331.39432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN=C2C3=CC=CC=C3)SC(=N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN=C2C3=CC=CC=C3)SC(=N)N)C#N

InChI

InChI=1S/C18H13N5S/c19-11-14-15(12-7-3-1-4-8-12)16(13-9-5-2-6-10-13)22-23-17(14)24-18(20)21/h1-10H,(H3,20,21)