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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-prop-2-enylthiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCC=C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCC=C

InChI

InChI=1S/C16H20N4S/c1-4-10-17-16(21)18-11-15-12(2)19-20(13(15)3)14-8-6-5-7-9-14/h4-9H,1,10-11H2,2-3H3,(H2,17,18,21)