1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-3-p-phenetyl-thiourea Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

InChI

InChI=1S/C22H26N4OS/c1-5-27-20-12-10-19(11-13-20)23-22(28)24-21-16(3)25-26(17(21)4)14-18-9-7-6-8-15(18)2/h6-13H,5,14H2,1-4H3,(H2,23,24,28)