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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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