1-[1-(1-adamantyl)pyrazol-3-yl]-3-butyl-thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-butyl-thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-butyl-thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-butylthiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-butylthiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-butyl-thiourea Formula: C18H28N4S MolecularWeight: 332.50672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NN(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCNC(=S)NC1=NN(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H28N4S/c1-2-3-5-19-17(23)20-16-4-6-22(21-16)18-10-13-7-14(11-18)9-15(8-13)12-18/h4,6,13-15H,2-3,5,7-12H2,1H3,(H2,19,20,21,23)