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

Systemtic Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]-3-prop-2-enylthiourea IUPAC Name: 1-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]thiourea Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NCC=C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=S)NCC=C

InChI

InChI=1S/C22H24N4OS/c1-4-13-23-22(28)24-21-16(2)25-26(17(21)3)15-18-9-8-12-20(14-18)27-19-10-6-5-7-11-19/h4-12,14H,1,13,15H2,2-3H3,(H2,23,24,28)