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

Systemtic Name: 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-quinolin-3-yl-benzamide Openeye Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(3-quinolyl)benzamide CAS Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N-(3-quinolinyl)benzamide IUPAC Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-quinolin-3-ylbenzamide Traditional Name: 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(3-quinolyl)benzamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H18N6O2S/c1-27-13-23-26-21(27)30-12-19(28)24-16-7-4-6-15(10-16)20(29)25-17-9-14-5-2-3-8-18(14)22-11-17/h2-11,13H,12H2,1H3,(H,24,28)(H,25,29)