2-(methylamino)-5-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 2-(methylamino)-5-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(methylamino)-5-nitro-benzamide CAS Name: 2-(methylamino)-5-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 2-(methylamino)-5-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(methylamino)-5-nitro-benzamide Formula: C13H15N5O3S MolecularWeight: 321.3549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C13H15N5O3S/c1-7(2)12-16-17-13(22-12)15-11(19)9-6-8(18(20)21)4-5-10(9)14-3/h4-7,14H,1-3H3,(H,15,17,19)