2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[[4-methyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)acetamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=NC=CN=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=NC=CN=C4

InChI

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