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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-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-chloro-4-methyl-phenyl)acetamide CAS Name: 2-[5-[(2-anilino-2-oxoethyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methylphenyl)acetamide IUPAC Name: 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methylphenyl)acetamide Traditional Name: 2-[4-allyl-5-[(2-anilino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C22H22ClN5O2S MolecularWeight: 455.96038

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O2S/c1-3-11-28-19(13-20(29)25-17-10-9-15(2)18(23)12-17)26-27-22(28)31-14-21(30)24-16-7-5-4-6-8-16/h3-10,12H,1,11,13-14H2,2H3,(H,24,30)(H,25,29)