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

Systemtic Name: 3-[4-(2-methylpropyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(4-isobutyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)propanamide CAS Name: 3-[4-(2-methylpropyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-5-(phenacylthio)-1,2,4-triazol-3-yl]propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CCC(=O)N

InChI

InChI=1S/C17H22N4O2S/c1-12(2)10-21-16(9-8-15(18)23)19-20-17(21)24-11-14(22)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,18,23)