3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-prop-2-enethioamide

Systemtic Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-prop-2-enethioamide CAS Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-thioacrylamide Formula: C16H12BrN5S MolecularWeight: 386.26898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=C(C#N)C(=S)N)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C=C(C#N)C(=S)N)CCC#N)Br

InChI

InChI=1S/C16H12BrN5S/c17-14-4-2-11(3-5-14)15-13(8-12(9-19)16(20)23)10-22(21-15)7-1-6-18/h2-5,8,10H,1,7H2,(H2,20,23)