4-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C26H26N6O2S MolecularWeight: 486.58864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CN=CC=C4

InChI

InChI=1S/C26H26N6O2S/c1-3-17-7-5-8-18(4-2)23(17)32-25(20-9-6-14-28-15-20)30-31-26(32)35-16-22(33)29-21-12-10-19(11-13-21)24(27)34/h5-15H,3-4,16H2,1-2H3,(H2,27,34)(H,29,33)