4-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C24H23N5O2S2 MolecularWeight: 477.60172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)CC4=CC=CS4

InChI

InChI=1S/C24H23N5O2S2/c25-23(31)18-8-10-19(11-9-18)26-22(30)16-33-24-28-27-21(15-20-7-4-14-32-20)29(24)13-12-17-5-2-1-3-6-17/h1-11,14H,12-13,15-16H2,(H2,25,31)(H,26,30)