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

Systemtic Name: 3-[5-(cyanomethylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(cyanomethylsulfanyl)-4-isobutyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-(cyanomethylthio)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(cyanomethylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-(cyanomethylthio)-4-isobutyl-1,2,4-triazol-3-yl]propionamide Formula: C11H17N5OS MolecularWeight: 267.35058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N5OS/c1-8(2)7-16-10(4-3-9(13)17)14-15-11(16)18-6-5-12/h8H,3-4,6-7H2,1-2H3,(H2,13,17)