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

Systemtic Name: 2-[[4-azanyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C17H16BrN5O2S MolecularWeight: 434.31024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN5O2S/c18-12-5-4-6-13(9-12)20-16(24)11-26-17-22-21-15(23(17)19)10-25-14-7-2-1-3-8-14/h1-9H,10-11,19H2,(H,20,24)