4-(4-chlorophenyl)-3-(dodecyldisulfanyl)-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 4-(4-chlorophenyl)-3-(dodecyldisulfanyl)-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-(4-chlorophenyl)-5-(dodecyldisulfanyl)-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-(dodecyldisulfanyl)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-(4-chlorophenyl)-5-(dodecyldisulfanyl)-1,2,4-triazole Traditional Name: 3-benzyl-4-(4-chlorophenyl)-5-(lauryldisulfanyl)-1,2,4-triazole Formula: C27H36ClN3S2 MolecularWeight: 502.17784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSSC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCSSC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C27H36ClN3S2/c1-2-3-4-5-6-7-8-9-10-14-21-32-33-27-30-29-26(22-23-15-12-11-13-16-23)31(27)25-19-17-24(28)18-20-25/h11-13,15-20H,2-10,14,21-22H2,1H3