1-(1-adamantyl)-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-mercaptoethyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-mercaptoethyl)-4-nitro-pyrazole-3-carboxamide Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCCS)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCCS)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O3S/c21-15(17-1-2-24)14-13(20(22)23)9-19(18-14)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12,24H,1-8H2,(H,17,21)