3-butan-2-yl-5-octadecylsulfanyl-4-(4-propan-2-ylphenyl)-1,2,4-triazole

Systemtic Name: 3-butan-2-yl-5-octadecylsulfanyl-4-(4-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 4-(4-isopropylphenyl)-3-octadecylsulfanyl-5-sec-butyl-1,2,4-triazole CAS Name: 3-butan-2-yl-5-(octadecylthio)-4-(4-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-butan-2-yl-5-octadecylsulfanyl-4-(4-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 4-p-cumenyl-3-sec-butyl-5-(stearylthio)-1,2,4-triazole Formula: C33H57N3S MolecularWeight: 527.89078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)C(C)C)C(C)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2=CC=C(C=C2)C(C)C)C(C)CC

InChI

InChI=1S/C33H57N3S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-37-33-35-34-32(29(5)7-2)36(33)31-25-23-30(24-26-31)28(3)4/h23-26,28-29H,6-22,27H2,1-5H3