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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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