N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-ethyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=NC=CN=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=NC=CN=C4

InChI

InChI=1S/C18H18N6O3S/c1-2-24-17(13-10-19-5-6-20-13)22-23-18(24)28-11-16(25)21-12-3-4-14-15(9-12)27-8-7-26-14/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,25)