3-[5-[(4-cyanophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(4-cyanophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-cyanophenyl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-cyanophenyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-cyanophenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-cyanobenzyl)thio]-4-isobutyl-1,2,4-triazol-3-yl]propionamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CCC(=O)N

InChI

InChI=1S/C17H21N5OS/c1-12(2)10-22-16(8-7-15(19)23)20-21-17(22)24-11-14-5-3-13(9-18)4-6-14/h3-6,12H,7-8,10-11H2,1-2H3,(H2,19,23)