2-[4-(4-chlorophenyl)-5-octadecylsulfanyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 2-[4-(4-chlorophenyl)-5-octadecylsulfanyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-[4-(4-chlorophenyl)-5-octadecylsulfanyl-1,2,4-triazol-3-yl]pyridine CAS Name: 2-[4-(4-chlorophenyl)-5-(octadecylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-[4-(4-chlorophenyl)-5-octadecylsulfanyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-[4-(4-chlorophenyl)-5-(stearylthio)-1,2,4-triazol-3-yl]pyridine Formula: C31H45ClN4S MolecularWeight: 541.2338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C31H45ClN4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-31-35-34-30(29-20-17-18-25-33-29)36(31)28-23-21-27(32)22-24-28/h17-18,20-25H,2-16,19,26H2,1H3