N-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-aniline

Systemtic Name: N-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-aniline Openeye Name: N-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitro-aniline CAS Name: N-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-3-nitroaniline IUPAC Name: N-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-nitroaniline Traditional Name: [[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl-(3-nitrophenyl)amine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCNC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCNC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c24-23(25)16-3-1-2-15(7-16)20-11-27-18-22-21-17(26-18)19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,12-14,20H,4-6,8-11H2