3-butylsulfanyl-5-(4-chlorophenyl)-4-pentyl-1,2,4-triazole

Systemtic Name: 3-butylsulfanyl-5-(4-chlorophenyl)-4-pentyl-1,2,4-triazole Openeye Name: 3-butylsulfanyl-5-(4-chlorophenyl)-4-pentyl-1,2,4-triazole CAS Name: 3-(butylthio)-5-(4-chlorophenyl)-4-pentyl-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-5-(4-chlorophenyl)-4-pentyl-1,2,4-triazole Traditional Name: 4-amyl-3-(butylthio)-5-(4-chlorophenyl)-1,2,4-triazole Formula: C17H24ClN3S MolecularWeight: 337.91056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NN=C1SCCCC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCN1C(=NN=C1SCCCC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H24ClN3S/c1-3-5-7-12-21-16(14-8-10-15(18)11-9-14)19-20-17(21)22-13-6-4-2/h8-11H,3-7,12-13H2,1-2H3