N-tert-butyl-2-[[5-methyl-4-[(3-phenylmethoxyphenyl)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[5-methyl-4-[(3-phenylmethoxyphenyl)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-[(3-benzyloxyphenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[5-methyl-4-[(3-phenylmethoxyphenyl)methylamino]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-methyl-4-[(3-phenylmethoxyphenyl)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-[(3-benzoxybenzyl)amino]-5-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NCC2=CC(=CC=C2)OCC3=CC=CC=C3)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1NCC2=CC(=CC=C2)OCC3=CC=CC=C3)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C23H29N5O2S/c1-17-26-27-22(31-16-21(29)25-23(2,3)4)28(17)24-14-19-11-8-12-20(13-19)30-15-18-9-6-5-7-10-18/h5-13,24H,14-16H2,1-4H3,(H,25,29)