1-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-3-(2,4,4-trimethylpentan-2-yl)urea

Systemtic Name: 1-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-3-(2,4,4-trimethylpentan-2-yl)urea Openeye Name: 1-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-3-(1,1,3,3-tetramethylbutyl)urea CAS Name: 1-[1-[(phenylthio)methyl]-4-pyrazolyl]-3-(2,4,4-trimethylpentan-2-yl)urea IUPAC Name: 1-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-3-(2,4,4-trimethylpentan-2-yl)urea Traditional Name: 1-[1-[(phenylthio)methyl]pyrazol-4-yl]-3-(1,1,3,3-tetramethylbutyl)urea Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)NC1=CN(N=C1)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)NC1=CN(N=C1)CSC2=CC=CC=C2

InChI

InChI=1S/C19H28N4OS/c1-18(2,3)13-19(4,5)22-17(24)21-15-11-20-23(12-15)14-25-16-9-7-6-8-10-16/h6-12H,13-14H2,1-5H3,(H2,21,22,24)