1-[5-azanyl-3-tert-butyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea

Systemtic Name: 1-[5-azanyl-3-tert-butyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea Openeye Name: 1-[5-amino-3-tert-butyl-1-(o-tolyl)pyrazol-4-yl]-3-[2-(2-thienyl)ethyl]urea CAS Name: 1-[5-amino-3-tert-butyl-1-(2-methylphenyl)-4-pyrazolyl]-3-(2-thiophen-2-ylethyl)urea IUPAC Name: 1-[5-amino-3-tert-butyl-1-(2-methylphenyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea Traditional Name: 1-[5-amino-3-tert-butyl-1-(o-tolyl)pyrazol-4-yl]-3-[2-(2-thienyl)ethyl]urea Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C(C)(C)C)NC(=O)NCCC3=CC=CS3)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C(C)(C)C)NC(=O)NCCC3=CC=CS3)N

InChI

InChI=1S/C21H27N5OS/c1-14-8-5-6-10-16(14)26-19(22)17(18(25-26)21(2,3)4)24-20(27)23-12-11-15-9-7-13-28-15/h5-10,13H,11-12,22H2,1-4H3,(H2,23,24,27)