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1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea

1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea

Systemtic Name:1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea
Openeye Name:1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea
CAS Name:1-[1-(1-adamantyl)-3-pyrazolyl]-3-(3,4-dimethoxyphenyl)thiourea
IUPAC Name:1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea
Traditional Name:1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea
Formula: C22H28N4O2S
MolecularWeight: 412.54832
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)OC


Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)OC


InChI

InChI=1S/C22H28N4O2S/c1-27-18-4-3-17(10-19(18)28-2)23-21(29)24-20-5-6-26(25-20)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,10,14-16H,7-9,11-13H2,1-2H3,(H2,23,24,25,29)


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