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

Systemtic Name: N-tert-butyl-2-[[4-(phenylmethyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[4-(phenylmethyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-benzyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C24H30N4O2S/c1-17(2)30-20-13-9-12-19(14-20)22-26-27-23(31-16-21(29)25-24(3,4)5)28(22)15-18-10-7-6-8-11-18/h6-14,17H,15-16H2,1-5H3,(H,25,29)