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

Systemtic Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-3-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-3-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]thiourea Formula: C21H28N6S MolecularWeight: 396.55222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3C)C

InChI

InChI=1S/C21H28N6S/c1-6-26-12-19(15(3)24-26)11-22-21(28)23-20-16(4)25-27(17(20)5)13-18-10-8-7-9-14(18)2/h7-10,12H,6,11,13H2,1-5H3,(H2,22,23,28)