N-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)-piperonylamide Formula: C13H12N4O3S MolecularWeight: 304.32438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=S)N2NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1C2=NNC(=S)N2NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C13H12N4O3S/c18-12(8-3-4-9-10(5-8)20-6-19-9)16-17-11(7-1-2-7)14-15-13(17)21/h3-5,7H,1-2,6H2,(H,15,21)(H,16,18)