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

Systemtic Name: 1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-3-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]thiourea Openeye Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]thiourea CAS Name: 1-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-3-[1-(1-ethyl-5-methyl-4-pyrazolyl)ethyl]thiourea IUPAC Name: 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiourea Traditional Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethyl]thiourea Formula: C21H28N6S MolecularWeight: 396.55222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(C)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCN1C(=C(C=N1)C(C)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3)C)C

InChI

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