S-methyl 2,5-dimethyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carbothioate

Systemtic Name: S-methyl 2,5-dimethyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carbothioate Openeye Name: S-methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carbothioate CAS Name: 2,5-dimethyl-4-[oxo-[2-(phenylmethyl)phenyl]methyl]-1H-pyrrole-3-carbothioic acid S-methyl ester IUPAC Name: S-methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carbothioate Traditional Name: 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carbothioic acid S-methyl ester Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)SC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)SC)C(=O)C2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO2S/c1-14-19(20(15(2)23-14)22(25)26-3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3