N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-chloranyl-4-oxidanidyl-benzenecarboximidate

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-chloranyl-4-oxidanidyl-benzenecarboximidate Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-chloro-4-oxido-benzenecarboximidate CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-chloro-4-oxidobenzenecarboximidate IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-chloro-4-oxidobenzenecarboximidate Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-chloro-4-oxido-benzenecarboximidate Formula: C19H18ClN3O2S-2 MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O2S/c20-14-6-13(1-2-15(14)24)16(25)21-18-23-22-17(26-18)19-7-10-3-11(8-19)5-12(4-10)9-19/h1-2,6,10-12,24H,3-5,7-9H2,(H,21,23,25)/p-2