ethyl 2-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylene]hydrazino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylate CAS Name: 2-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]-4-phenyl-5-thiocyanato-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]-4-phenyl-5-thiocyanatothiophene-3-carboxylate Traditional Name: 2-[(N'Z)-N'-[1,3-benzothiazol-2-yl(cyano)methylene]hydrazino]-4-phenyl-5-thiocyanato-thiophene-3-carboxylic acid ethyl ester Formula: C23H15N5O2S3 MolecularWeight: 489.5925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC#N)NN=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)SC#N)N/N=C(/C#N)\C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H15N5O2S3/c1-2-30-22(29)19-18(14-8-4-3-5-9-14)23(31-13-25)33-21(19)28-27-16(12-24)20-26-15-10-6-7-11-17(15)32-20/h3-11,28H,2H2,1H3/b27-16-