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

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(4-ethanoyl-5-tridecylsulfanyl-1,2,4-triazol-3-yl)urea Openeye Name: 1-(4-acetyl-5-tridecylsulfanyl-1,2,4-triazol-3-yl)-3-(2,6-diisopropylphenyl)urea CAS Name: 1-[4-acetyl-5-(tridecylthio)-1,2,4-triazol-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-(4-acetyl-5-tridecylsulfanyl-1,2,4-triazol-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-[4-acetyl-5-(tridecylthio)-1,2,4-triazol-3-yl]-3-(2,6-diisopropylphenyl)urea Formula: C30H49N5O2S MolecularWeight: 543.80736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=NN=C(N1C(=O)C)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCSC1=NN=C(N1C(=O)C)NC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C30H49N5O2S/c1-7-8-9-10-11-12-13-14-15-16-17-21-38-30-34-33-28(35(30)24(6)36)32-29(37)31-27-25(22(2)3)19-18-20-26(27)23(4)5/h18-20,22-23H,7-17,21H2,1-6H3,(H2,31,32,33,37)