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

Systemtic Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-(1-adamantyl)-3-pyrazolyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)pyrazol-3-yl]-3-(4-nitrophenyl)thiourea Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O2S/c26-25(27)17-3-1-16(2-4-17)21-19(28)22-18-5-6-24(23-18)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-6,13-15H,7-12H2,(H2,21,22,23,28)