methyl 2-(2-ethylhexylsulfanyl)-6-imidazol-1-yl-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate

Systemtic Name: methyl 2-(2-ethylhexylsulfanyl)-6-imidazol-1-yl-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Openeye Name: methyl 2-(2-ethylhexylsulfanyl)-6-imidazol-1-yl-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate CAS Name: 2-(2-ethylhexylthio)-6-(1-imidazolyl)-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylhexylsulfanyl)-6-imidazol-1-yl-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Traditional Name: 2-(2-ethylhexylthio)-6-imidazol-1-yl-4-keto-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid methyl ester Formula: C25H29N5O3S MolecularWeight: 479.59446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CSC1=NC(=O)N2C(=C(C(=C2N3C=CN=C3)C4=CC=CC=C4)C(=O)OC)N1

Isomeric SMILES

CCCCC(CC)CSC1=NC(=O)N2C(=C(C(=C2N3C=CN=C3)C4=CC=CC=C4)C(=O)OC)N1

InChI

InChI=1S/C25H29N5O3S/c1-4-6-10-17(5-2)15-34-24-27-21-20(23(31)33-3)19(18-11-8-7-9-12-18)22(29-14-13-26-16-29)30(21)25(32)28-24/h7-9,11-14,16-17H,4-6,10,15H2,1-3H3,(H,27,28,32)