(phenylmethyl) 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]acetic acid benzyl ester Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4O2S/c18-14-8-4-7-13(9-14)16-20-21-17(22(16)19)25-11-15(23)24-10-12-5-2-1-3-6-12/h1-9H,10-11,19H2