N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3-nitro-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3-nitrobenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3-nitro-benzamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)N(CC5=CC=CC=C5)C(=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)N(CC5=CC=CC=C5)C(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O3S/c31-23(21-7-4-8-22(12-21)30(32)33)29(16-17-5-2-1-3-6-17)25-28-27-24(34-25)26-13-18-9-19(14-26)11-20(10-18)15-26/h1-8,12,18-20H,9-11,13-16H2