N-[3-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]phenyl]-piperonylamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

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