N-[4-[2-[[4-(furan-2-ylmethyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-methoxy-phenyl]propanamide

Systemtic Name: N-[4-[2-[[4-(furan-2-ylmethyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-methoxy-phenyl]propanamide Openeye Name: N-[4-[2-[[4-(2-furylmethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methoxy-phenyl]propanamide CAS Name: N-[4-[2-[[4-(2-furanylmethyl)-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-methoxyphenyl]propanamide IUPAC Name: N-[4-[2-[[4-(furan-2-ylmethyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methoxyphenyl]propanamide Traditional Name: N-[4-[2-[[4-(2-furfuryl)-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetyl]-2-methoxy-phenyl]propionamide Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC4=CC=CO4)OC

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC4=CC=CO4)OC

InChI

InChI=1S/C25H24N4O5S/c1-3-23(32)26-20-11-8-17(13-22(20)33-2)21(31)15-35-25-28-27-24(16-6-9-18(30)10-7-16)29(25)14-19-5-4-12-34-19/h4-13,27H,3,14-15H2,1-2H3,(H,26,32)