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1-[1-(1-adamantyl)pyrazol-3-yl]-3-(1,3-benzodioxol-5-yl)thiourea

1-[1-(1-adamantyl)pyrazol-3-yl]-3-(1,3-benzodioxol-5-yl)thiourea

Systemtic Name:1-[1-(1-adamantyl)pyrazol-3-yl]-3-(1,3-benzodioxol-5-yl)thiourea
Openeye Name:1-[1-(1-adamantyl)pyrazol-3-yl]-3-(1,3-benzodioxol-5-yl)thiourea
CAS Name:1-[1-(1-adamantyl)-3-pyrazolyl]-3-(1,3-benzodioxol-5-yl)thiourea
IUPAC Name:1-[1-(1-adamantyl)pyrazol-3-yl]-3-(1,3-benzodioxol-5-yl)thiourea
Traditional Name:1-[1-(1-adamantyl)pyrazol-3-yl]-3-(1,3-benzodioxol-5-yl)thiourea
Formula: C21H24N4O2S
MolecularWeight: 396.50586
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NC5=CC6=C(C=C5)OCO6


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NC5=CC6=C(C=C5)OCO6


InChI

InChI=1S/C21H24N4O2S/c28-20(22-16-1-2-17-18(8-16)27-12-26-17)23-19-3-4-25(24-19)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,8,13-15H,5-7,9-12H2,(H2,22,23,24,28)


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