N-(1-adamantyl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(1-adamantyl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-(1-adamantyl)-4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-(1-adamantyl)-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-(1-adamantyl)-4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CSC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CSC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3S/c1-12-2-18(24(26)27)22-23(12)10-16-6-17(28-11-16)19(25)21-20-7-13-3-14(8-20)5-15(4-13)9-20/h2,6,11,13-15H,3-5,7-10H2,1H3,(H,21,25)