1-[2-(4-cyanobutyl)-1,2,3-triazol-4-yl]-3-[2,2,2-tris(fluoranyl)ethylsulfanyl]urea

Systemtic Name: 1-[2-(4-cyanobutyl)-1,2,3-triazol-4-yl]-3-[2,2,2-tris(fluoranyl)ethylsulfanyl]urea Openeye Name: 1-[2-(4-cyanobutyl)triazol-4-yl]-3-(2,2,2-trifluoroethylsulfanyl)urea CAS Name: 1-[2-(4-cyanobutyl)-4-triazolyl]-3-(2,2,2-trifluoroethylthio)urea IUPAC Name: 1-[2-(4-cyanobutyl)triazol-4-yl]-3-(2,2,2-trifluoroethylsulfanyl)urea Traditional Name: 1-[2-(4-cyanobutyl)triazol-4-yl]-3-(2,2,2-trifluoroethylthio)urea Formula: C10H13F3N6OS MolecularWeight: 322.31003

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(N=C1NC(=O)NSCC(F)(F)F)CCCCC#N

Isomeric SMILES

C1=NN(N=C1NC(=O)NSCC(F)(F)F)CCCCC#N

InChI

InChI=1S/C10H13F3N6OS/c11-10(12,13)7-21-18-9(20)16-8-6-15-19(17-8)5-3-1-2-4-14/h6H,1-3,5,7H2,(H2,16,17,18,20)