2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenyl-ethanamide

Systemtic Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenyl-ethanamide Openeye Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenyl-acetamide CAS Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N,N-dimethyl-2-phenylacetamide IUPAC Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide Traditional Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-dimethyl-2-phenyl-acetamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N(C)C)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N(C)C)C4=CN=CC=C4

InChI

InChI=1S/C27H29N5OS/c1-5-19-14-10-15-20(6-2)23(19)32-25(22-16-11-17-28-18-22)29-30-27(32)34-24(26(33)31(3)4)21-12-8-7-9-13-21/h7-18,24H,5-6H2,1-4H3