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

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(3-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(3-chloro-2-methyl-phenyl)thiourea Formula: C21H25ClN4S MolecularWeight: 400.968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25ClN4S/c1-13-17(22)3-2-4-18(13)23-20(27)24-19-5-6-26(25-19)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H2,23,24,25,27)