3,3-dimethyl-1-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-(2-methylallyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-(2-methylallyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=NC=C2

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC=NC=C2

InChI

InChI=1S/C17H22N4OS/c1-12(2)10-21-15(13-6-8-18-9-7-13)19-20-16(21)23-11-14(22)17(3,4)5/h6-9H,1,10-11H2,2-5H3