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

Systemtic Name: 4-chloranyl-N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[5-[(2-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[5-[(2-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C16H10Cl2N4O3S2 MolecularWeight: 441.3116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10Cl2N4O3S2/c17-11-4-2-1-3-10(11)8-26-16-21-20-15(27-16)19-14(23)9-5-6-12(18)13(7-9)22(24)25/h1-7H,8H2,(H,19,20,23)