1-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)-3-prop-2-enyl-thiourea

Systemtic Name: 1-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(2,4-dimethyl-5-oxo-1-phenyl-pyrazol-3-yl)thiourea CAS Name: 1-(2,4-dimethyl-5-oxo-1-phenyl-3-pyrazolyl)-3-prop-2-enylthiourea IUPAC Name: 1-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-(5-keto-2,4-dimethyl-1-phenyl-3-pyrazolin-3-yl)thiourea Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4OS/c1-4-10-16-15(21)17-13-11(2)14(20)19(18(13)3)12-8-6-5-7-9-12/h4-9H,1,10H2,2-3H3,(H2,16,17,21)