5-[(3-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[(3-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate Openeye Name: 5-[(3-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate CAS Name: 5-[(3-bromophenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(3-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate Traditional Name: 5-[(3-bromobenzyl)thio]-4-phenethyl-1,2,4-triazol-3-olate Formula: C17H15BrN3OS- MolecularWeight: 389.2895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)Br)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)Br)[O-]

InChI

InChI=1S/C17H16BrN3OS/c18-15-8-4-7-14(11-15)12-23-17-20-19-16(22)21(17)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,22)/p-1