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

Systemtic Name: ethyl 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N=NC3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N=NC3C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H22N4O3S/c1-3-28-21(27)17-15-11-7-8-12-16(15)29-19(17)23-22-18-13(2)24-25(20(18)26)14-9-5-4-6-10-14/h4-6,9-10,18H,3,7-8,11-12H2,1-2H3