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

Systemtic Name: 4-nitro-N-[5-[2-(phenylmethylsulfanyl)phenyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(2-benzylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: 4-nitro-N-[5-[2-(phenylmethylthio)phenyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-(2-benzylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[2-(benzylthio)phenyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O3S2/c27-20(16-10-12-17(13-11-16)26(28)29)23-22-25-24-21(31-22)18-8-4-5-9-19(18)30-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,23,25,27)