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

Systemtic Name: N-[[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C25H28N6O2S MolecularWeight: 476.59382

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O2S/c1-2-13-31-22(18-26-24(33)20-9-5-3-6-10-20)27-28-25(31)34-19-23(32)30-16-14-29(15-17-30)21-11-7-4-8-12-21/h2-12H,1,13-19H2,(H,26,33)