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

Systemtic Name: N-[[4-methyl-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-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N5O4S/c1-25-17(10-21-19(27)13-7-8-15-16(9-13)29-12-28-15)23-24-20(25)30-11-18(26)22-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,21,27)(H,22,26)