N-[1-(5-chloranylbenzotriazol-2-yl)-2-cyano-propan-2-yl]-4-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: N-[1-(5-chloranylbenzotriazol-2-yl)-2-cyano-propan-2-yl]-4-(trifluoromethyl)benzenecarbothioamide Openeye Name: N-[2-(5-chlorobenzotriazol-2-yl)-1-cyano-1-methyl-ethyl]-4-(trifluoromethyl)benzenecarbothioamide CAS Name: N-[1-(5-chloro-2-benzotriazolyl)-2-cyanopropan-2-yl]-4-(trifluoromethyl)benzenecarbothioamide IUPAC Name: N-[1-(5-chlorobenzotriazol-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethyl)benzenecarbothioamide Traditional Name: N-[2-(5-chlorobenzotriazol-2-yl)-1-cyano-1-methyl-ethyl]-4-(trifluoromethyl)thiobenzamide Formula: C18H13ClF3N5S MolecularWeight: 423.84253

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1N=C2C=CC(=CC2=N1)Cl)(C#N)NC(=S)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(CN1N=C2C=CC(=CC2=N1)Cl)(C#N)NC(=S)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H13ClF3N5S/c1-17(9-23,10-27-25-14-7-6-13(19)8-15(14)26-27)24-16(28)11-2-4-12(5-3-11)18(20,21)22/h2-8H,10H2,1H3,(H,24,28)