1-tert-butyl-3-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]-3-tert-butylthiourea Traditional Name: 1-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-3-tert-butyl-thiourea Formula: C17H22ClN5OS MolecularWeight: 379.90748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NNC(=S)NC(C)(C)C)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)NNC(=S)NC(C)(C)C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C17H22ClN5OS/c1-11-13(15(24)20-21-16(25)19-17(2,3)4)14(18)23(22-11)10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,20,24)(H2,19,21,25)