N-(1,3-benzodioxol-5-yl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C19H18N4O4S/c24-17(20-14-6-7-15-16(10-14)27-12-26-15)11-28-19-22-21-18(25)23(19)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,24)(H,21,25)