S-[3-cyano-3-(1-ethylbenzimidazol-2-yl)-2-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-cyano-3-(1-ethylbenzimidazol-2-yl)-2-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-cyano-3-(1-ethylbenzimidazol-2-yl)-2-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-cyano-3-(1-ethyl-2-benzimidazolyl)-2-oxopropyl] ester IUPAC Name: S-[3-cyano-3-(1-ethylbenzimidazol-2-yl)-2-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-cyano-3-(1-ethylbenzimidazol-2-yl)-2-keto-propyl] ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C#N)C(=O)CSC(=O)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C(C#N)C(=O)CSC(=O)C

InChI

InChI=1S/C15H15N3O2S/c1-3-18-13-7-5-4-6-12(13)17-15(18)11(8-16)14(20)9-21-10(2)19/h4-7,11H,3,9H2,1-2H3