1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromo-4-methoxy-phenyl)ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromo-4-methoxyphenyl)ethanone Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(3-bromo-4-methoxy-phenyl)ethanone Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-27-19-10-9-16(11-17(19)22)18(26)13-28-21-24-23-20(15-7-8-15)25(21)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3