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

Systemtic Name: 3-[4-(2-methylpropyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C19H24N6OS MolecularWeight: 384.49846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)N3C=CC=N3)CCC(=O)N

InChI

InChI=1S/C19H24N6OS/c1-14(2)12-24-18(9-8-17(20)26)22-23-19(24)27-13-15-4-6-16(7-5-15)25-11-3-10-21-25/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H2,20,26)