2-[2-azanylidene-5-(4-butylcyclohexyl)-1,3,4-thiadiazol-3-yl]ethanoate

Systemtic Name: 2-[2-azanylidene-5-(4-butylcyclohexyl)-1,3,4-thiadiazol-3-yl]ethanoate Openeye Name: 2-[5-(4-butylcyclohexyl)-2-imino-1,3,4-thiadiazol-3-yl]acetate CAS Name: 2-[5-(4-butylcyclohexyl)-2-imino-1,3,4-thiadiazol-3-yl]acetate IUPAC Name: 2-[5-(4-butylcyclohexyl)-2-imino-1,3,4-thiadiazol-3-yl]acetate Traditional Name: 2-[5-(4-butylcyclohexyl)-2-imino-1,3,4-thiadiazol-3-yl]acetate Formula: C14H22N3O2S- MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=NN(C(=N)S2)CC(=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C2=NN(C(=N)S2)CC(=O)[O-]

InChI

InChI=1S/C14H23N3O2S/c1-2-3-4-10-5-7-11(8-6-10)13-16-17(9-12(18)19)14(15)20-13/h10-11,15H,2-9H2,1H3,(H,18,19)/p-1