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

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C14H15N3OS MolecularWeight: 273.3534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3OS/c1-3-9-17-11(2)15-16-14(17)19-10-13(18)12-7-5-4-6-8-12/h3-8H,1,9-10H2,2H3