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

Systemtic Name: 2-[[4-[(3-bromophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[4-[(3-bromophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[4-[(3-bromophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[4-[(3-bromophenyl)methylamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4-[(3-bromobenzyl)amino]-5-methyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C16H22BrN5OS MolecularWeight: 412.34778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN5OS/c1-11-20-21-15(24-10-14(23)19-16(2,3)4)22(11)18-9-12-6-5-7-13(17)8-12/h5-8,18H,9-10H2,1-4H3,(H,19,23)