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

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-benzyl-thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-benzylthiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-benzyl-thiourea Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4S/c26-20(22-14-15-4-2-1-3-5-15)23-19-6-7-25(24-19)21-11-16-8-17(12-21)10-18(9-16)13-21/h1-7,16-18H,8-14H2,(H2,22,23,24,26)