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

Systemtic Name: 1-tert-butyl-3-[[(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-tert-butyl-3-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[(E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[(E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]amino]thiourea Formula: C16H26ClN5OS MolecularWeight: 371.92854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NNC(=S)NC(C)(C)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NNC(=S)NC(C)(C)C)Cl

InChI

InChI=1S/C16H26ClN5OS/c1-6-7-10-22-14(17)12(11(2)21-22)8-9-13(23)19-20-15(24)18-16(3,4)5/h8-9H,6-7,10H2,1-5H3,(H,19,23)(H2,18,20,24)/b9-8+