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

Systemtic Name: N-tert-butyl-2-[[5-methyl-4-[(2-phenylmethoxynaphthalen-1-yl)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-[(2-benzyloxy-1-naphthyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[5-methyl-4-[(2-phenylmethoxy-1-naphthalenyl)methylamino]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-methyl-4-[(2-phenylmethoxynaphthalen-1-yl)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-[(2-benzoxy-1-naphthyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NCC2=C(C=CC3=CC=CC=C32)OCC4=CC=CC=C4)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1NCC2=C(C=CC3=CC=CC=C32)OCC4=CC=CC=C4)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C27H31N5O2S/c1-19-30-31-26(35-18-25(33)29-27(2,3)4)32(19)28-16-23-22-13-9-8-12-21(22)14-15-24(23)34-17-20-10-6-5-7-11-20/h5-15,28H,16-18H2,1-4H3,(H,29,33)