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

Systemtic Name: 2-[[4-azanyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-16-6-5-7-17(14-16)22-26-27-23(28(22)24)31-15-21(29)25-18-10-12-20(13-11-18)30-19-8-3-2-4-9-19/h2-14H,15,24H2,1H3,(H,25,29)