2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-dimethylaminophenyl)methyl]ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-dimethylaminophenyl)methyl]ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-dimethylaminophenyl)methyl]acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[(4-dimethylaminophenyl)methyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-dimethylaminophenyl)methyl]acetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(dimethylamino)benzyl]acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H25N5OS/c1-26(2)18-12-8-16(9-13-18)14-23-20(28)15-29-22-25-24-21(17-10-11-17)27(22)19-6-4-3-5-7-19/h3-9,12-13,17H,10-11,14-15H2,1-2H3,(H,23,28)