N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-1-(4-methylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-1-(4-methylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-1-(p-tolyl)triazole-4-carboxamide CAS Name: N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-1-(4-methylphenyl)-4-triazolecarboxamide IUPAC Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylphenyl)triazole-4-carboxamide Traditional Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-1-(p-tolyl)triazole-4-carboxamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CN(N=N1)C2=CC=C(C=C2)C)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=CN(N=N1)C2=CC=C(C=C2)C)C3=CSC=C3

InChI

InChI=1S/C20H25N5OS/c1-4-24(5-2)19(16-10-11-27-14-16)12-21-20(26)18-13-25(23-22-18)17-8-6-15(3)7-9-17/h6-11,13-14,19H,4-5,12H2,1-3H3,(H,21,26)