1-tert-butyl-3-[[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]thiourea

Systemtic Name: 1-tert-butyl-3-[[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]thiourea Openeye Name: 1-[[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-tert-butyl-thiourea CAS Name: 1-tert-butyl-3-[[(E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-[[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]-3-tert-butylthiourea Traditional Name: 1-[[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]-3-tert-butyl-thiourea Formula: C19H24ClN5OS MolecularWeight: 405.94476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NNC(=S)NC(C)(C)C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C19H24ClN5OS/c1-13-15(10-11-16(26)22-23-18(27)21-19(2,3)4)17(20)25(24-13)12-14-8-6-5-7-9-14/h5-11H,12H2,1-4H3,(H,22,26)(H2,21,23,27)/b11-10+