2-(2,4-dimethylphenyl)-5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]triazole-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-4-triazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)triazole-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-5-methyl-N-[2-pyrrolidino-2-(2-thienyl)ethyl]triazole-4-carboxamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NCC(C3=CC=CS3)N4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NCC(C3=CC=CS3)N4CCCC4)C)C

InChI

InChI=1S/C22H27N5OS/c1-15-8-9-18(16(2)13-15)27-24-17(3)21(25-27)22(28)23-14-19(20-7-6-12-29-20)26-10-4-5-11-26/h6-9,12-13,19H,4-5,10-11,14H2,1-3H3,(H,23,28)