N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C=CCN1C=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H18N4O3S/c1-2-6-20-11-17-19-16(20)24-10-15(21)18-12-4-5-13-14(9-12)23-8-3-7-22-13/h2,4-5,9,11H,1,3,6-8,10H2,(H,18,21)