N-[[4-ethyl-5-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-ethyl-5-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-ethyl-5-[2-(2-naphthylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-ethyl-5-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-ethyl-5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(2-naphthylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N5O4S/c1-2-30-22(13-26-24(32)18-8-10-20-21(12-18)34-15-33-20)28-29-25(30)35-14-23(31)27-19-9-7-16-5-3-4-6-17(16)11-19/h3-12H,2,13-15H2,1H3,(H,26,32)(H,27,31)