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

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

Systemtic Name:3-(4-chlorophenyl)-5-dodecylsulfanyl-4-(phenylmethyl)-1,2,4-triazole
Openeye Name:4-benzyl-3-(4-chlorophenyl)-5-dodecylsulfanyl-1,2,4-triazole
CAS Name:3-(4-chlorophenyl)-5-(dodecylthio)-4-(phenylmethyl)-1,2,4-triazole
IUPAC Name:4-benzyl-3-(4-chlorophenyl)-5-dodecylsulfanyl-1,2,4-triazole
Traditional Name:4-benzyl-3-(4-chlorophenyl)-5-(laurylthio)-1,2,4-triazole
Formula: C27H36ClN3S
MolecularWeight: 470.11284
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl


Isomeric SMILES

CCCCCCCCCCCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl


InChI

InChI=1S/C27H36ClN3S/c1-2-3-4-5-6-7-8-9-10-14-21-32-27-30-29-26(24-17-19-25(28)20-18-24)31(27)22-23-15-12-11-13-16-23/h11-13,15-20H,2-10,14,21-22H2,1H3


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