2-[[4-azanyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-2-propan-2-yl-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromanyl-2-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-isopropyl-phenyl)acetamide CAS Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-isopropyl-phenyl)acetamide Formula: C20H22BrN5O2S MolecularWeight: 476.38998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2N)COC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN5O2S/c1-13(2)16-10-14(21)8-9-17(16)23-19(27)12-29-20-25-24-18(26(20)22)11-28-15-6-4-3-5-7-15/h3-10,13H,11-12,22H2,1-2H3,(H,23,27)