N-[2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-4-tert-butyl-benzamide

Systemtic Name: N-[2-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-4-tert-butyl-benzamide Openeye Name: N-[2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-tert-butyl-benzamide CAS Name: N-[2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-tert-butylbenzamide IUPAC Name: N-[2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-tert-butylbenzamide Traditional Name: N-[2-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]-4-tert-butyl-benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC(=O)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25N5O2S/c1-14-7-5-6-8-17(14)19-25-26-21(27(19)23)30-13-18(28)24-20(29)15-9-11-16(12-10-15)22(2,3)4/h5-12H,13,23H2,1-4H3,(H,24,28,29)