1-(1-adamantyl)-3-(2-chloranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(2-chloranyl-5-nitro-phenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(2-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H20ClN3O2S/c18-14-2-1-13(21(22)23)6-15(14)19-16(24)20-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H2,19,20,24)