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

Systemtic Name: 2-chloranyl-4-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitrobenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-nitro-benzamide Formula: C16H11ClN4O3S MolecularWeight: 374.80154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O3S/c17-13-9-11(21(23)24)6-7-12(13)15(22)18-16-20-19-14(25-16)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,20,22)