1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbonitrile Openeye Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbonitrile CAS Name: 1-(2-benzoyl-4-chlorophenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-(2-benzoyl-4-chlorophenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(2-benzoyl-4-chloro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carbonitrile Formula: C19H16ClN5O MolecularWeight: 365.81624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H16ClN5O/c1-24(2)12-18-22-17(11-21)23-25(18)16-9-8-14(20)10-15(16)19(26)13-6-4-3-5-7-13/h3-10H,12H2,1-2H3