(E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-thiophen-3-yl-prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-thiophen-3-yl-prop-2-enenitrile Openeye Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(3-thienyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-3-(3-thiophenyl)-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)-3-thiophen-3-ylprop-2-enenitrile Traditional Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(3-thienyl)acrylonitrile Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CSC=C2)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CSC=C2)/C#N)C

InChI

InChI=1S/C17H18N2OS/c1-4-6-19-12(2)8-16(13(19)3)17(20)15(10-18)9-14-5-7-21-11-14/h5,7-9,11H,4,6H2,1-3H3/b15-9+