S-propan-2-yl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate

Systemtic Name: S-propan-2-yl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Openeye Name: S-isopropyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate CAS Name: (NE)-N-(1-phenyl-4-pyridazinylidene)carbamothioic acid S-propan-2-yl ester IUPAC Name: S-propan-2-yl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Traditional Name: (NE)-N-(1-phenylpyridazin-4-ylidene)thiocarbamic acid S-isopropyl ester Formula: C14H15N3OS MolecularWeight: 273.3534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(=O)N=C1C=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3OS/c1-11(2)19-14(18)16-12-8-9-17(15-10-12)13-6-4-3-5-7-13/h3-11H,1-2H3/b16-12+