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

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-imidazol-1-yl-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C19H14N6O3S2 MolecularWeight: 438.48286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O3S2/c26-17(14-6-7-15(16(10-14)25(27)28)24-9-8-20-12-24)21-18-22-23-19(30-18)29-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,22,26)