4-[[5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-[(2-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[[[5-(o-anisidino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzamide Formula: C17H15N5O4S2 MolecularWeight: 417.4621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=NN=C(S2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S2/c1-26-14-5-3-2-4-12(14)19-16-20-21-17(28-16)27-9-11-7-6-10(15(18)23)8-13(11)22(24)25/h2-8H,9H2,1H3,(H2,18,23)(H,19,20)