(E)-3-[1-(3-ethanoylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[1-(3-ethanoylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[1-(3-acetylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[1-(3-acetylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-[1-(3-acetylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[1-(3-acetylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)C)C)C=C(C#N)C3=NC(=CS3)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)C)C)/C=C(\C#N)/C3=NC(=CS3)C

InChI

InChI=1S/C21H19N3OS/c1-13-12-26-21(23-13)19(11-22)9-18-8-14(2)24(15(18)3)20-7-5-6-17(10-20)16(4)25/h5-10,12H,1-4H3/b19-9+