N-(1-phenylethyl)-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(1-phenylethyl)-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: N-(1-phenylethyl)-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(1-phenylethyl)benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-15(2)27-14-23-26-22(27)30-13-20(28)25-19-12-8-7-11-18(19)21(29)24-16(3)17-9-5-4-6-10-17/h4-12,14-16H,13H2,1-3H3,(H,24,29)(H,25,28)