3-[4-(4-bromophenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(4-bromophenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-bromophenyl)-5-cinnamylsulfanyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-bromophenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-bromophenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-bromophenyl)-5-(cinnamylthio)-1,2,4-triazol-3-yl]pyridine Formula: C22H17BrN4S MolecularWeight: 449.36618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C=CCSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C22H17BrN4S/c23-19-10-12-20(13-11-19)27-21(18-9-4-14-24-16-18)25-26-22(27)28-15-5-8-17-6-2-1-3-7-17/h1-14,16H,15H2