4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-4H-1,3,4-thiadiazin-5-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-[2-(piperonylamino)-4H-1,3,4-thiadiazin-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C2C=CC(=O)C=C2O)NN=C(S1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(=C2C=CC(=O)C=C2O)NN=C(S1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O4S/c21-11-2-3-12(14(22)6-11)13-8-25-17(20-19-13)18-7-10-1-4-15-16(5-10)24-9-23-15/h1-6,19,22H,7-9H2,(H,18,20)