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

Systemtic Name: 1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-3-[1-(2-ethylpyrazol-3-yl)ethyl]thiourea Openeye Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-[1-(2-ethylpyrazol-3-yl)ethyl]thiourea CAS Name: 1-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-3-[1-(2-ethyl-3-pyrazolyl)ethyl]thiourea IUPAC Name: 1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[1-(2-ethylpyrazol-3-yl)ethyl]thiourea Traditional Name: 1-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-[1-(2-ethylpyrazol-3-yl)ethyl]thiourea Formula: C20H26N6S MolecularWeight: 382.52564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6S/c1-5-25-18(11-12-21-25)14(2)22-20(27)23-19-15(3)24-26(16(19)4)13-17-9-7-6-8-10-17/h6-12,14H,5,13H2,1-4H3,(H2,22,23,27)