2-[[4-azanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-amino-5-mesityl-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N5OS/c1-12-9-13(2)17(14(3)10-12)18-22-23-19(24(18)20)26-11-16(25)21-15-7-5-4-6-8-15/h4-10H,11,20H2,1-3H3,(H,21,25)