1-[[4-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]benzotriazole

Systemtic Name: 1-[[4-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]benzotriazole Openeye Name: 1-[[5-allylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]benzotriazole CAS Name: 1-[[4-(4-chlorophenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]benzotriazole IUPAC Name: 1-[[4-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]benzotriazole Traditional Name: 1-[[5-(allylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]benzotriazole Formula: C18H15ClN6S MolecularWeight: 382.8699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1C2=CC=C(C=C2)Cl)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C=CCSC1=NN=C(N1C2=CC=C(C=C2)Cl)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H15ClN6S/c1-2-11-26-18-22-21-17(25(18)14-9-7-13(19)8-10-14)12-24-16-6-4-3-5-15(16)20-23-24/h2-10H,1,11-12H2