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

Systemtic Name: N-tert-butyl-2-[[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-[(2-benzyloxy-5-chloro-phenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-[(5-chloro-2-phenylmethoxyphenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-[(2-benzoxy-5-chloro-benzyl)amino]-5-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C23H28ClN5O2S MolecularWeight: 474.01872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN5O2S/c1-16-27-28-22(32-15-21(30)26-23(2,3)4)29(16)25-13-18-12-19(24)10-11-20(18)31-14-17-8-6-5-7-9-17/h5-12,25H,13-15H2,1-4H3,(H,26,30)