4-[[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[2,2,2-tris(fluoranyl)ethyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[2,2,2-tris(fluoranyl)ethyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]methyl]benzonitrile CAS Name: 4-[[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-(2,2,2-trifluoroethyl)amino]methyl]benzonitrile IUPAC Name: 4-[[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-(2,2,2-trifluoroethyl)amino]methyl]benzonitrile Traditional Name: 4-[[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]methyl]benzonitrile Formula: C20H18F3N5S2 MolecularWeight: 449.51563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)CN(CC3=CC=C(C=C3)C#N)CC(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN(C2=S)CN(CC3=CC=C(C=C3)C#N)CC(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C20H18F3N5S2/c21-20(22,23)12-26(11-15-5-3-14(10-24)4-6-15)13-27-19(29)28(16-7-8-16)18(25-27)17-2-1-9-30-17/h1-6,9,16H,7-8,11-13H2