1-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-chlorophenyl)methyl]thiourea

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-chlorophenyl)methyl]thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-chlorophenyl)methyl]thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-[(4-chlorophenyl)methyl]thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-[(4-chlorophenyl)methyl]thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-chlorobenzyl)thiourea Formula: C21H25ClN4S MolecularWeight: 400.968

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H25ClN4S/c22-18-3-1-14(2-4-18)13-23-20(27)24-19-5-6-26(25-19)21-10-15-7-16(11-21)9-17(8-15)12-21/h1-6,15-17H,7-13H2,(H2,23,24,25,27)