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

Systemtic Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H23N3OS/c1-5-11-25-21(18-9-7-6-8-10-18)23-24-22(25)27-14-20(26)19-13-16(3)15(2)12-17(19)4/h5-10,12-13H,1,11,14H2,2-4H3