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

Systemtic Name: 2-[[4-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[4-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[4-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-[(4-benzoxy-3-bromo-5-methoxy-benzyl)amino]-5-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C24H30BrN5O3S MolecularWeight: 548.4957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN5O3S/c1-16-28-29-23(34-15-21(31)27-24(2,3)4)30(16)26-13-18-11-19(25)22(20(12-18)32-5)33-14-17-9-7-6-8-10-17/h6-12,26H,13-15H2,1-5H3,(H,27,31)