N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(diethylazaniumyl)ethanimidate

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(diethylazaniumyl)ethanimidate Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(diethylammonio)ethanimidate CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(diethylammonio)ethanimidate IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(diethylazaniumyl)ethanimidate Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(diethylammonio)acetimidate Formula: C18H28N4OS MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=NC1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)[O-]

Isomeric SMILES

CC[NH+](CC)CC(=NC1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)[O-]

InChI

InChI=1S/C18H28N4OS/c1-3-22(4-2)11-15(23)19-17-21-20-16(24-17)18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,3-11H2,1-2H3,(H,19,21,23)