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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-(3,4-dimethoxyphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-5-8-19-11(2)17-18-16(19)23-10-13(20)12-6-7-14(21-3)15(9-12)22-4/h5-7,9H,1,8,10H2,2-4H3