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

Systemtic Name: methyl 2,2-dimethyl-4-methylsulfanyl-8,8-diphenyl-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate Openeye Name: methyl 2,2-dimethyl-4-methylsulfanyl-8,8-diphenyl-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylate CAS Name: 2,2-dimethyl-4-(methylthio)-8,8-diphenyl-7-pyrrolo[1,2-a][1,3,5]triazinecarboxylic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-4-methylsulfanyl-8,8-diphenylpyrrolo[1,2-a][1,3,5]triazine-7-carboxylate Traditional Name: 2,2-dimethyl-4-(methylthio)-8,8-diphenyl-pyrrolo[1,2-a][1,3,5]triazine-7-carboxylic acid methyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2S/c1-22(2)24-20-23(16-11-7-5-8-12-16,17-13-9-6-10-14-17)18(19(27)28-3)15-26(20)21(25-22)29-4/h5-15H,1-4H3