[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-phenyl-methanol

Systemtic Name: [5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-phenyl-methanol Openeye Name: [5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-phenyl-methanol CAS Name: [5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]-phenylmethanol IUPAC Name: [5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-phenylmethanol Traditional Name: [5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]-phenyl-methanol Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)O

InChI

InChI=1S/C22H18BrN3OS/c23-18-13-11-16(12-14-18)15-28-22-25-24-21(20(27)17-7-3-1-4-8-17)26(22)19-9-5-2-6-10-19/h1-14,20,27H,15H2