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

Systemtic Name: N-[[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N5O4S/c1-2-26-18(11-22-20(28)14-8-9-16-17(10-14)30-13-29-16)24-25-21(26)31-12-19(27)23-15-6-4-3-5-7-15/h3-10H,2,11-13H2,1H3,(H,22,28)(H,23,27)