(E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(2-methylthiazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-3-(2-methyl-4-thiazolyl)-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(2-methylthiazol-4-yl)acrylonitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CSC(=N2)C)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CSC(=N2)C)/C#N

InChI

InChI=1S/C17H17N3OS/c1-5-6-20-11(2)7-16(12(20)3)17(21)14(9-18)8-15-10-22-13(4)19-15/h5,7-8,10H,1,6H2,2-4H3/b14-8+