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

Systemtic Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(3-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-[(3-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C20H15BrN4S MolecularWeight: 423.3289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C20H15BrN4S/c21-17-6-4-5-15(13-17)14-26-20-24-23-19(16-9-11-22-12-10-16)25(20)18-7-2-1-3-8-18/h1-13H,14H2