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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C17H11N5O3S2 MolecularWeight: 397.43094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H11N5O3S2/c18-9-11-5-7-12(8-6-11)10-26-17-21-20-16(27-17)19-15(23)13-3-1-2-4-14(13)22(24)25/h1-8H,10H2,(H,19,20,23)