N-[[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-allyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=CO4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C23H26N6O3S/c1-2-10-29-20(16-24-22(31)19-9-6-15-32-19)25-26-23(29)33-17-21(30)28-13-11-27(12-14-28)18-7-4-3-5-8-18/h2-9,15H,1,10-14,16-17H2,(H,24,31)