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

Systemtic Name: 4-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: 4-[[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CS4

InChI

InChI=1S/C22H19N5O2S2/c23-20(29)16-8-10-17(11-9-16)24-19(28)14-31-22-26-25-21(18-7-4-12-30-18)27(22)13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H2,23,29)(H,24,28)