methyl 3-[1-(4-methylphenyl)butyl]-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-[1-(4-methylphenyl)butyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[1-(p-tolyl)butyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[1-(4-methylphenyl)butyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-(4-methylphenyl)butyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-[1-(p-tolyl)butyl]-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C)N2C(=CNC2=S)C(=O)OC

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C)N2C(=CNC2=S)C(=O)OC

InChI

InChI=1S/C16H20N2O2S/c1-4-5-13(12-8-6-11(2)7-9-12)18-14(15(19)20-3)10-17-16(18)21/h6-10,13H,4-5H2,1-3H3,(H,17,21)