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

Systemtic Name: 2-[[5-cyclohexyl-4-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclohexyl-4-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclohexyl-4-[(5-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-5-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=CC(=CNN2C(=NN=C2SCC(=O)[O-])C3CCCCC3)C1=O

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-26-14-9-5-8-13(16(14)25)10-19-22-17(12-6-3-2-4-7-12)20-21-18(22)27-11-15(23)24/h5,8-10,12,19H,2-4,6-7,11H2,1H3,(H,23,24)/p-1