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

Systemtic Name: 4-[5-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-allyl-5-[[5-(4-bromophenyl)-2-furyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[[5-(4-bromophenyl)-2-furanyl]methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-allyl-5-[[5-(4-bromophenyl)-2-furyl]methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(O2)C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(O2)C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C21H17BrN4OS/c1-2-13-26-20(16-9-11-23-12-10-16)24-25-21(26)28-14-18-7-8-19(27-18)15-3-5-17(22)6-4-15/h2-12H,1,13-14H2