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

Systemtic Name: N-[[5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[5-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[5-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N5O4S/c1-3-14-4-7-16(8-5-14)24-20(28)12-32-22-26-25-19(27(22)2)11-23-21(29)15-6-9-17-18(10-15)31-13-30-17/h4-10H,3,11-13H2,1-2H3,(H,23,29)(H,24,28)