3-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enethioamide

Systemtic Name: 3-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enethioamide CAS Name: 3-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-thioacrylamide Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C(C#N)C(=S)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C(C#N)C(=S)N

InChI

InChI=1S/C16H14ClN3S/c1-10-7-12(8-13(9-18)16(19)21)11(2)20(10)15-5-3-14(17)4-6-15/h3-8H,1-2H3,(H2,19,21)