3-[5-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide

Systemtic Name: 3-[5-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide Openeye Name: 3-[5-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propanamide CAS Name: 3-[5-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenylpropanamide IUPAC Name: 3-[5-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylpropanamide Traditional Name: 3-[5-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C)CCC(=O)NC3=CC=CC=C3

InChI

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