3-cyanopropyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: 3-cyanopropyl 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid 3-cyanopropyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCCCC#N

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCCCC#N

InChI

InChI=1S/C15H15N3O2S/c1-21-15-17-11-13(14(19)20-10-6-5-9-16)18(15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,10H2,1H3