2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)COC4=CC=CC=C4)C

InChI

InChI=1S/C25H23ClN4O2S/c1-17-12-18(2)14-20(13-17)27-24(31)16-33-25-29-28-23(15-32-22-6-4-3-5-7-22)30(25)21-10-8-19(26)9-11-21/h3-14H,15-16H2,1-2H3,(H,27,31)