N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-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-phenyl-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-phenyl-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-phenyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-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-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=NC=CN=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=NC=CN=C5

InChI

InChI=1S/C22H18N6O3S/c29-20(25-15-6-7-18-19(12-15)31-11-10-30-18)14-32-22-27-26-21(17-13-23-8-9-24-17)28(22)16-4-2-1-3-5-16/h1-9,12-13H,10-11,14H2,(H,25,29)