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

Systemtic Name: 3,3-dimethyl-1-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 1-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 1-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C16H20N4OS MolecularWeight: 316.4212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CN=CC=C2

InChI

InChI=1S/C16H20N4OS/c1-5-9-20-14(12-7-6-8-17-10-12)18-19-15(20)22-11-13(21)16(2,3)4/h5-8,10H,1,9,11H2,2-4H3