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

Systemtic Name: 4-[2-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(4-p-phenetyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C23H21N7O3S MolecularWeight: 475.52294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=NC=CN=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=NC=CN=C4

InChI

InChI=1S/C23H21N7O3S/c1-2-33-18-9-7-17(8-10-18)30-22(19-13-25-11-12-26-19)28-29-23(30)34-14-20(31)27-16-5-3-15(4-6-16)21(24)32/h3-13H,2,14H2,1H3,(H2,24,32)(H,27,31)