2-[[5-cyclohexyl-4-[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-cyclohexyl-4-[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclohexyl-4-[(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-[(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclohexyl-4-[(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclohexyl-4-[(6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate Formula: C18H21N4O4S- MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=NN=C2SCC(=O)[O-])C3CCCCC3)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNN2C(=NN=C2SCC(=O)[O-])C3CCCCC3)C(=O)C=C1

InChI

InChI=1S/C18H22N4O4S/c1-26-14-7-8-15(23)13(9-14)10-19-22-17(12-5-3-2-4-6-12)20-21-18(22)27-11-16(24)25/h7-10,12,19H,2-6,11H2,1H3,(H,24,25)/p-1