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

Systemtic Name: N-(3-methylphenyl)-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-(m-tolyl)benzamide CAS Name: N-(3-methylphenyl)-2-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N-(3-methylphenyl)-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-(m-tolyl)benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=CN3C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NN=CN3C(C)C

InChI

InChI=1S/C21H23N5O2S/c1-14(2)26-13-22-25-21(26)29-12-19(27)24-18-10-5-4-9-17(18)20(28)23-16-8-6-7-15(3)11-16/h4-11,13-14H,12H2,1-3H3,(H,23,28)(H,24,27)