N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide IUPAC Name: N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3O3S/c1-15-16(2)26(17-6-4-3-5-7-17)23(19(15)13-24)25-22(27)14-30-18-8-9-20-21(12-18)29-11-10-28-20/h3-9,12H,10-11,14H2,1-2H3,(H,25,27)