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

Systemtic Name: 2-[[4-azanyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-amino-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O2S/c1-13-7-6-8-14(2)18(13)26-11-16-22-23-19(24(16)20)27-12-17(25)21-15-9-4-3-5-10-15/h3-10H,11-12,20H2,1-2H3,(H,21,25)