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

Systemtic Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-chloranyl-2-nitro-benzamide Openeye Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-chloro-2-nitro-benzamide CAS Name: N-[5-[(4-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-chloro-2-nitrobenzamide IUPAC Name: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-chloro-2-nitrobenzamide Traditional Name: N-[5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-chloro-2-nitro-benzamide Formula: C16H10BrClN4O3S2 MolecularWeight: 485.7626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrClN4O3S2/c17-10-3-1-9(2-4-10)8-26-16-21-20-15(27-16)19-14(23)12-7-11(18)5-6-13(12)22(24)25/h1-7H,8H2,(H,19,20,23)