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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC(C)C

InChI

InChI=1S/C22H25N5O2S/c1-4-16-9-5-8-12-19(16)27-14-23-26-22(27)30-13-20(28)25-18-11-7-6-10-17(18)21(29)24-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,24,29)(H,25,28)