methyl 2,2-dimethyl-8,8-diphenyl-4-phenylsulfanyl-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate

Systemtic Name: methyl 2,2-dimethyl-8,8-diphenyl-4-phenylsulfanyl-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate Openeye Name: methyl 2,2-dimethyl-8,8-diphenyl-4-phenylsulfanyl-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate CAS Name: 2,2-dimethyl-8,8-diphenyl-4-(phenylthio)-7-pyrrolo[1,2-a][1,3,5]triazinecarboxylic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-8,8-diphenyl-4-phenylsulfanylpyrrolo[1,2-a][1,3,5]triazine-7-carboxylate Traditional Name: 2,2-dimethyl-8,8-diphenyl-4-(phenylthio)pyrrolo[1,2-a][1,3,5]triazine-7-carboxylic acid methyl ester Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C2C(C(=CN2C(=N1)SC3=CC=CC=C3)C(=O)OC)(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(N=C2C(C(=CN2C(=N1)SC3=CC=CC=C3)C(=O)OC)(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H25N3O2S/c1-27(2)29-25-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)23(24(32)33-3)19-31(25)26(30-27)34-22-17-11-6-12-18-22/h4-19H,1-3H3