1-[[(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[[(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoprop-2-enyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acryloyl]amino]-3-(2-fluorophenyl)thiourea Formula: C18H21ClFN5OS MolecularWeight: 409.908643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NNC(=S)NC2=CC=CC=C2F)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NNC(=S)NC2=CC=CC=C2F)Cl)CC(C)C

InChI

InChI=1S/C18H21ClFN5OS/c1-11(2)10-25-17(19)13(12(3)24-25)8-9-16(26)22-23-18(27)21-15-7-5-4-6-14(15)20/h4-9,11H,10H2,1-3H3,(H,22,26)(H2,21,23,27)/b9-8+