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

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-tert-butyl-acetamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-tert-butylacetamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-tert-butyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N(CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N(CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C22H27N5OS/c1-16-10-12-18(13-11-16)20-24-25-21(27(20)23)29-15-19(28)26(22(2,3)4)14-17-8-6-5-7-9-17/h5-13H,14-15,23H2,1-4H3