1-[2,6-di(propan-2-yl)phenyl]-3-(3-tridecylsulfanyl-1H-1,2,4-triazol-5-yl)urea

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tridecylsulfanyl-1H-1,2,4-triazol-5-yl)urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-(3-tridecylsulfanyl-1H-1,2,4-triazol-5-yl)urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[3-(tridecylthio)-1H-1,2,4-triazol-5-yl]urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(3-tridecylsulfanyl-1H-1,2,4-triazol-5-yl)urea Traditional Name: 1-(2,6-diisopropylphenyl)-3-[3-(tridecylthio)-1H-1,2,4-triazol-5-yl]urea Formula: C28H47N5OS MolecularWeight: 501.77068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=NNC(=N1)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCSC1=NNC(=N1)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C28H47N5OS/c1-6-7-8-9-10-11-12-13-14-15-16-20-35-28-31-26(32-33-28)30-27(34)29-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H3,29,30,31,32,33,34)