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

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(5-dodecylsulfanyl-4-ethanoyl-1,2,4-triazol-3-yl)urea Openeye Name: 1-(4-acetyl-5-dodecylsulfanyl-1,2,4-triazol-3-yl)-3-(2,6-diisopropylphenyl)urea CAS Name: 1-[4-acetyl-5-(dodecylthio)-1,2,4-triazol-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-(4-acetyl-5-dodecylsulfanyl-1,2,4-triazol-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-[4-acetyl-5-(laurylthio)-1,2,4-triazol-3-yl]-3-(2,6-diisopropylphenyl)urea Formula: C29H47N5O2S MolecularWeight: 529.78078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN=C(N1C(=O)C)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCCCCCCCCSC1=NN=C(N1C(=O)C)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C29H47N5O2S/c1-7-8-9-10-11-12-13-14-15-16-20-37-29-33-32-27(34(29)23(6)35)31-28(36)30-26-24(21(2)3)18-17-19-25(26)22(4)5/h17-19,21-22H,7-16,20H2,1-6H3,(H2,30,31,32,36)