ethyl 2-(2-ethylhexylsulfanyl)-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate

Systemtic Name: ethyl 2-(2-ethylhexylsulfanyl)-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Openeye Name: ethyl 2-(2-ethylhexylsulfanyl)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate CAS Name: 2-(2-ethylhexylthio)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethylhexylsulfanyl)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Traditional Name: 2-(2-ethylhexylthio)-4-keto-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid ethyl ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CSC1=NC(=O)N2C=C(C(=C2N1)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CC)CSC1=NC(=O)N2C=C(C(=C2N1)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-4-7-11-16(5-2)15-30-22-24-20-19(21(27)29-6-3)18(14-26(20)23(28)25-22)17-12-9-8-10-13-17/h8-10,12-14,16H,4-7,11,15H2,1-3H3,(H,24,25,28)