2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C14H17N3OS MolecularWeight: 275.36928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NN=C(N1C)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3OS/c1-10(2)13-15-16-14(17(13)3)19-9-12(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3