2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]methyl]benzonitrile Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H20N2OS/c1-13-9-18(14(2)21(13)17-7-8-17)19(22)12-23-11-16-6-4-3-5-15(16)10-20/h3-6,9,17H,7-8,11-12H2,1-2H3