methyl 5-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-11-16(18(25)26-3)12(2)21-17(11)15(24)10-27-19-22-14(9-23(19)20)13-7-5-4-6-8-13/h4-9,21H,10,20H2,1-3H3