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

Systemtic Name: 2-chloranyl-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide Formula: C17H10ClN5O3S2 MolecularWeight: 431.876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C17H10ClN5O3S2/c18-14-6-5-12(23(25)26)7-13(14)15(24)20-16-21-22-17(28-16)27-9-11-3-1-10(8-19)2-4-11/h1-7H,9H2,(H,20,21,24)