N-(2,5-dimethylphenyl)-3-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2,5-dimethylphenyl)propanamide CAS Name: 3-[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2,5-dimethylphenyl)propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-15-9-10-16(2)18(13-15)24-20(28)12-11-19-25-26-22(27(19)3)30-14-21(29)23-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,23,29)(H,24,28)