N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-prop-2-enyl-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-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O3S/c1-2-7-25-18(14-11-20-5-6-21-14)23-24-19(25)29-12-17(26)22-13-3-4-15-16(10-13)28-9-8-27-15/h2-6,10-11H,1,7-9,12H2,(H,22,26)