(E)-3-[1-(cyanomethyl)-3-thiophen-2-yl-pyrazol-4-yl]-N-(1,2-diphenylethyl)prop-2-enethioamide

Systemtic Name: (E)-3-[1-(cyanomethyl)-3-thiophen-2-yl-pyrazol-4-yl]-N-(1,2-diphenylethyl)prop-2-enethioamide Openeye Name: (E)-3-[1-(cyanomethyl)-3-(2-thienyl)pyrazol-4-yl]-N-(1,2-diphenylethyl)prop-2-enethioamide CAS Name: (E)-3-[1-(cyanomethyl)-3-thiophen-2-yl-4-pyrazolyl]-N-(1,2-diphenylethyl)-2-propenethioamide IUPAC Name: (E)-3-[1-(cyanomethyl)-3-thiophen-2-ylpyrazol-4-yl]-N-(1,2-diphenylethyl)prop-2-enethioamide Traditional Name: (E)-3-[1-(cyanomethyl)-3-(2-thienyl)pyrazol-4-yl]-N-(1,2-diphenylethyl)thioacrylamide Formula: C26H22N4S2 MolecularWeight: 454.60968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=S)C=CC3=CN(N=C3C4=CC=CS4)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=S)/C=C/C3=CN(N=C3C4=CC=CS4)CC#N

InChI

InChI=1S/C26H22N4S2/c27-15-16-30-19-22(26(29-30)24-12-7-17-32-24)13-14-25(31)28-23(21-10-5-2-6-11-21)18-20-8-3-1-4-9-20/h1-14,17,19,23H,16,18H2,(H,28,31)/b14-13+