N-(3-acetamidophenyl)-2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26N6O2S/c1-14(29)24-17-6-5-7-18(12-17)25-19(30)13-31-21-27-26-20(28(21)23)15-8-10-16(11-9-15)22(2,3)4/h5-12H,13,23H2,1-4H3,(H,24,29)(H,25,30)