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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C14H16N4O3S/c1-9-15-14(18-17-9)22-8-13(19)16-10-3-4-11-12(7-10)21-6-2-5-20-11/h3-4,7H,2,5-6,8H2,1H3,(H,16,19)(H,15,17,18)