3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3,4-dichlorobenzyl)thio]-5-(2-furyl)-1,2,4-triazole Formula: C16H13Cl2N3OS MolecularWeight: 366.26492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=CO3

InChI

InChI=1S/C16H13Cl2N3OS/c1-2-7-21-15(14-4-3-8-22-14)19-20-16(21)23-10-11-5-6-12(17)13(18)9-11/h2-6,8-9H,1,7,10H2