2-[(Z)-2-(4-chlorophenyl)-2-cyano-ethenyl]-N,N-dimethyl-pyrrole-1-carbothioamide

Systemtic Name: 2-[(Z)-2-(4-chlorophenyl)-2-cyano-ethenyl]-N,N-dimethyl-pyrrole-1-carbothioamide Openeye Name: 2-[(Z)-2-(4-chlorophenyl)-2-cyano-vinyl]-N,N-dimethyl-pyrrole-1-carbothioamide CAS Name: 2-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]-N,N-dimethyl-1-pyrrolecarbothioamide IUPAC Name: 2-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]-N,N-dimethylpyrrole-1-carbothioamide Traditional Name: 2-[(Z)-2-(4-chlorophenyl)-2-cyano-vinyl]-N,N-dimethyl-pyrrole-1-carbothioamide Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)N1C=CC=C1C=C(C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN(C)C(=S)N1C=CC=C1/C=C(\C#N)/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClN3S/c1-19(2)16(21)20-9-3-4-15(20)10-13(11-18)12-5-7-14(17)8-6-12/h3-10H,1-2H3/b13-10+