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

Systemtic Name: 4-[4-(4-bromophenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-bromophenyl)-5-cinnamylsulfanyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-bromophenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-bromophenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[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=CC=NC=C4

Isomeric SMILES

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

InChI

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