N-(4-ethoxyphenyl)-2-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-p-phenetyl-benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H23N5O3S/c1-3-18-24-21(26-25-18)30-13-19(27)23-17-8-6-5-7-16(17)20(28)22-14-9-11-15(12-10-14)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,28)(H,23,27)(H,24,25,26)