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

Systemtic Name: N-(phenylmethyl)-2-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-benzyl-2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-15(2)26-14-23-25-21(26)29-13-19(27)24-18-11-7-6-10-17(18)20(28)22-12-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,22,28)(H,24,27)