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

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(5-dodecyl-1H-1,2,4-triazol-3-yl)urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-(5-dodecyl-1H-1,2,4-triazol-3-yl)urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(5-dodecyl-1H-1,2,4-triazol-3-yl)urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(5-dodecyl-1H-1,2,4-triazol-3-yl)urea Traditional Name: 1-(2,6-diisopropylphenyl)-3-(5-lauryl-1H-1,2,4-triazol-3-yl)urea Formula: C27H45N5O MolecularWeight: 455.6791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC(=NN1)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=NC(=NN1)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-24-28-26(32-31-24)30-27(33)29-25-22(20(2)3)17-16-18-23(25)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H3,28,29,30,31,32,33)