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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN5O2S/c23-16-8-6-15(7-9-16)21-26-27-22(28(21)24)31-14-20(29)25-17-10-12-19(13-11-17)30-18-4-2-1-3-5-18/h1-13H,14,24H2,(H,25,29)