N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-(benzylthio)-N-[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)CCCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSCC2=CC=CC=C2)CCCOC)C

InChI

InChI=1S/C20H25N3O2S/c1-15-16(2)23(10-7-11-25-3)20(18(15)12-21)22-19(24)14-26-13-17-8-5-4-6-9-17/h4-6,8-9H,7,10-11,13-14H2,1-3H3,(H,22,24)