ethyl 2-(6-ethanoyl-5-oxidanylidene-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(6-ethanoyl-5-oxidanylidene-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(6-acetyl-5-oxo-4-phenyl-3-thioxo-1,2,4-triazin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(6-acetyl-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(6-acetyl-5-oxo-4-phenyl-3-sulfanylidene-1,2,4-triazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(6-acetyl-5-keto-4-phenyl-3-thioxo-1,2,4-triazin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=S)N(C(=O)C(=N3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=S)N(C(=O)C(=N3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4S2/c1-3-29-21(28)17-15-11-7-8-12-16(15)31-20(17)25-22(30)24(14-9-5-4-6-10-14)19(27)18(23-25)13(2)26/h4-6,9-10H,3,7-8,11-12H2,1-2H3