N-[2-(dimethylaminomethyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[2-(dimethylaminomethyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-[2-(dimethylaminomethyl)phenyl]-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-[2-(dimethylaminomethyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[2-(dimethylaminomethyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-[2-(dimethylaminomethyl)phenyl]-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CN(C)CC1=CC=CC=C1NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-26(2)15-16-9-6-7-12-18(16)23-22(28)20-24-21(19-13-8-14-29-19)27(25-20)17-10-4-3-5-11-17/h3-14H,15H2,1-2H3,(H,23,28)