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

Systemtic Name: N-(6-methoxypyridin-3-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(6-methoxy-3-pyridyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(6-methoxy-3-pyridinyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(6-methoxypyridin-3-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(6-methoxy-3-pyridyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C16H14N6O4S MolecularWeight: 386.38516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O4S/c1-21-9-18-20-16(21)27-13-5-3-10(7-12(13)22(24)25)15(23)19-11-4-6-14(26-2)17-8-11/h3-9H,1-2H3,(H,19,23)