N-[5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[[2-keto-2-(2-naphthyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C21H14N4O4S2 MolecularWeight: 450.49026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O4S2/c26-18(16-6-5-13-3-1-2-4-15(13)11-16)12-30-21-24-23-20(31-21)22-19(27)14-7-9-17(10-8-14)25(28)29/h1-11H,12H2,(H,22,23,27)