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

Systemtic Name: 2-[[5-cyclohexyl-4-[(6-oxidanylidene-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclohexyl-4-[(6-oxo-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-[(6-oxo-4-propoxy-1-cyclohexa-2,4-dienylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclohexyl-4-[(6-oxo-4-propoxycyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclohexyl-4-[(6-keto-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate Formula: C20H25N4O4S- MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNN2C(=NN=C2SCC(=O)[O-])C3CCCCC3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNN2C(=NN=C2SCC(=O)[O-])C3CCCCC3)C=C1

InChI

InChI=1S/C20H26N4O4S/c1-2-10-28-16-9-8-15(17(25)11-16)12-21-24-19(14-6-4-3-5-7-14)22-23-20(24)29-13-18(26)27/h8-9,11-12,14,21H,2-7,10,13H2,1H3,(H,26,27)/p-1