N-(3,4-dimethylphenyl)-2-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-(2-anilino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]-N-(3,4-dimethylphenyl)acetamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N5O2S/c1-4-12-28-20(14-21(29)25-19-11-10-16(2)17(3)13-19)26-27-23(28)31-15-22(30)24-18-8-6-5-7-9-18/h4-11,13H,1,12,14-15H2,2-3H3,(H,24,30)(H,25,29)