1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-bromanyl-2-chloranyl-phenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-bromanyl-2-chloranyl-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-bromo-2-chloro-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(4-bromo-2-chlorophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-bromo-2-chlorophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-bromo-2-chloro-phenyl)thiourea Formula: C20H22BrClN4S MolecularWeight: 465.83748

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NC5=C(C=C(C=C5)Br)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NC5=C(C=C(C=C5)Br)Cl

InChI

InChI=1S/C20H22BrClN4S/c21-15-1-2-17(16(22)8-15)23-19(27)24-18-3-4-26(25-18)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11H2,(H2,23,24,25,27)