4-[2-methyl-1-(2H-1,2,3-triazol-4-ylmethyl)-5-(trifluoromethyl)pyrrol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-methyl-1-(2H-1,2,3-triazol-4-ylmethyl)-5-(trifluoromethyl)pyrrol-3-yl]benzenecarbonitrile Openeye Name: 4-[2-methyl-1-(2H-triazol-4-ylmethyl)-5-(trifluoromethyl)pyrrol-3-yl]benzonitrile CAS Name: 4-[2-methyl-1-(2H-triazol-4-ylmethyl)-5-(trifluoromethyl)-3-pyrrolyl]benzonitrile IUPAC Name: 4-[2-methyl-1-(2H-triazol-4-ylmethyl)-5-(trifluoromethyl)pyrrol-3-yl]benzonitrile Traditional Name: 4-[2-methyl-1-(2H-triazol-4-ylmethyl)-5-(trifluoromethyl)pyrrol-3-yl]benzonitrile Formula: C16H12F3N5 MolecularWeight: 331.29519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=NNN=C2)C(F)(F)F)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(N1CC2=NNN=C2)C(F)(F)F)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H12F3N5/c1-10-14(12-4-2-11(7-20)3-5-12)6-15(16(17,18)19)24(10)9-13-8-21-23-22-13/h2-6,8H,9H2,1H3,(H,21,22,23)