N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H15N5O6S MolecularWeight: 441.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-])OCO2

InChI

InChI=1S/C19H15N5O6S/c1-10(25)12-6-15-16(30-9-29-15)7-13(12)21-18(26)11-3-4-17(14(5-11)24(27)28)31-19-22-20-8-23(19)2/h3-8H,9H2,1-2H3,(H,21,26)