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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)N

InChI

InChI=1S/C23H21N5O2S/c24-22-26-27-23(31-16-17-7-3-1-4-8-17)28(22)15-21(29)25-18-11-13-20(14-12-18)30-19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,24,26)(H,25,29)