3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide

Systemtic Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide Openeye Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide CAS Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-[2-(phenylthio)phenyl]-1-adamantanecarboxamide IUPAC Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylsulfanylphenyl)adamantane-1-carboxamide Traditional Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-[2-(phenylthio)phenyl]adamantane-1-carboxamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=CC=C5SC6=CC=CC=C6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=CC=C5SC6=CC=CC=C6

InChI

InChI=1S/C25H25N5O3S/c31-22(27-20-8-4-5-9-21(20)34-19-6-2-1-3-7-19)24-11-17-10-18(12-24)14-25(13-17,15-24)29-16-26-23(28-29)30(32)33/h1-9,16-18H,10-15H2,(H,27,31)