methyl 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)pyridine-3-carboxylate

Systemtic Name: methyl 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)pyridine-3-carboxylate Openeye Name: methyl 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)pyridine-3-carboxylate CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-5-[(phenylthio)methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-5-(phenylsulfanylmethyl)pyridine-3-carboxylate Traditional Name: 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5-[(phenylthio)methyl]nicotinic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2C(=O)OC)CSC3=CC=CC=C3)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2C(=O)OC)CSC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O3S/c1-13(2)21(3)20(26)23-18(24-21)17-16(19(25)27-4)10-14(11-22-17)12-28-15-8-6-5-7-9-15/h5-11,13H,12H2,1-4H3,(H,23,24,26)