1-tert-butyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-tert-butyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-tert-butyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]thiourea Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C=CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)/C=C/C1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H21N5OS/c1-17(2,3)19-16(24)21-20-15(23)10-9-13-11-18-22(12-13)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,20,23)(H2,19,21,24)/b10-9+