N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN=NN3C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN=NN3C4=CC=CC=C4)OCO2

InChI

InChI=1S/C18H15N5O4S/c1-11(24)13-7-15-16(27-10-26-15)8-14(13)19-17(25)9-28-18-20-21-22-23(18)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,19,25)