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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NC=N1)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=NC=N1)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

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