ethyl 2-[2-(3-oxidanylidene-5-phenyl-pyrazol-4-yl)hydrazinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-oxidanylidene-5-phenyl-pyrazol-4-yl)hydrazinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-oxo-5-phenyl-pyrazol-4-yl)hydrazino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-oxo-5-phenyl-4-pyrazolyl)hydrazo]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-oxo-5-phenylpyrazol-4-yl)hydrazinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[N'-(3-keto-5-phenyl-pyrazol-4-yl)hydrazino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NNC3=C(N=NC3=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NNC3=C(N=NC3=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S/c1-2-27-20(26)15-13-10-6-7-11-14(13)28-19(15)24-22-17-16(21-23-18(17)25)12-8-4-3-5-9-12/h3-5,8-9,24H,2,6-7,10-11H2,1H3,(H,22,23,25)