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

Systemtic Name: 4-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide CAS Name: 4-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide Formula: C16H12N4O3S MolecularWeight: 340.35648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S/c21-15(12-6-8-13(9-7-12)20(22)23)17-16-19-18-14(24-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19,21)