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

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(5-tridecylsulfonyl-1H-1,2,4-triazol-3-yl)urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-(5-tridecylsulfonyl-1H-1,2,4-triazol-3-yl)urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(5-tridecylsulfonyl-1H-1,2,4-triazol-3-yl)urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(5-tridecylsulfonyl-1H-1,2,4-triazol-3-yl)urea Traditional Name: 1-(2,6-diisopropylphenyl)-3-(5-tridecylsulfonyl-1H-1,2,4-triazol-3-yl)urea Formula: C28H47N5O3S MolecularWeight: 533.76948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCS(=O)(=O)C1=NC(=NN1)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCS(=O)(=O)C1=NC(=NN1)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C28H47N5O3S/c1-6-7-8-9-10-11-12-13-14-15-16-20-37(35,36)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)