1-[1-(1-adamantyl)pyrazol-3-yl]-3-(5-chloranyl-2-methoxy-phenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(5-chloranyl-2-methoxy-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(5-chloro-2-methoxy-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(5-chloro-2-methoxyphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(5-chloro-2-methoxyphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(5-chloro-2-methoxy-phenyl)thiourea Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4OS/c1-27-18-3-2-16(22)9-17(18)23-20(28)24-19-4-5-26(25-19)21-10-13-6-14(11-21)8-15(7-13)12-21/h2-5,9,13-15H,6-8,10-12H2,1H3,(H2,23,24,25,28)