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

Systemtic Name: N-[2-cyano-1-(5-methylbenzotriazol-2-yl)propan-2-yl]-4-(trifluoromethyl)benzenecarbothioamide Openeye Name: N-[1-cyano-1-methyl-2-(5-methylbenzotriazol-2-yl)ethyl]-4-(trifluoromethyl)benzenecarbothioamide CAS Name: N-[2-cyano-1-(5-methyl-2-benzotriazolyl)propan-2-yl]-4-(trifluoromethyl)benzenecarbothioamide IUPAC Name: N-[2-cyano-1-(5-methylbenzotriazol-2-yl)propan-2-yl]-4-(trifluoromethyl)benzenecarbothioamide Traditional Name: N-[1-cyano-1-methyl-2-(5-methylbenzotriazol-2-yl)ethyl]-4-(trifluoromethyl)thiobenzamide Formula: C19H16F3N5S MolecularWeight: 403.42405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1)CC(C)(C#N)NC(=S)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1)CC(C)(C#N)NC(=S)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N5S/c1-12-3-8-15-16(9-12)26-27(25-15)11-18(2,10-23)24-17(28)13-4-6-14(7-5-13)19(20,21)22/h3-9H,11H2,1-2H3,(H,24,28)