ethyl 2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-cyanophenyl)-2-oxo-ethyl]sulfanyl-1H-imidazole-5-carboxylate CAS Name: 2-[[2-(4-cyanophenyl)-2-oxoethyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl-1H-imidazole-5-carboxylate Traditional Name: 2-[[2-(4-cyanophenyl)-2-keto-ethyl]thio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N1)SCC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N1)SCC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H13N3O3S/c1-2-21-14(20)12-8-17-15(18-12)22-9-13(19)11-5-3-10(7-16)4-6-11/h3-6,8H,2,9H2,1H3,(H,17,18)