S-ethyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate

Systemtic Name: S-ethyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Openeye Name: S-ethyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate CAS Name: (NE)-N-(1-phenyl-4-pyridazinylidene)carbamothioic acid S-ethyl ester IUPAC Name: S-ethyl (NE)-N-(1-phenylpyridazin-4-ylidene)carbamothioate Traditional Name: (NE)-N-(1-phenylpyridazin-4-ylidene)thiocarbamic acid S-ethyl ester Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N=C1C=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3OS/c1-2-18-13(17)15-11-8-9-16(14-10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3/b15-11+