4-(methylamino)-3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-(methylamino)-3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(methylamino)-3-nitro-benzamide CAS Name: 4-(methylamino)-3-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(methylamino)-3-nitro-benzamide Formula: C17H15N5O3S2 MolecularWeight: 401.4627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S2/c1-18-13-8-7-12(9-14(13)22(24)25)15(23)19-16-20-21-17(27-16)26-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20,23)