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

Systemtic Name: N-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[[(4-chlorophenyl)methylthio]methyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[[(4-chlorobenzyl)thio]methyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C17H13ClN4O3S2 MolecularWeight: 420.89312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4O3S2/c18-13-6-4-11(5-7-13)9-26-10-15-20-21-17(27-15)19-16(23)12-2-1-3-14(8-12)22(24)25/h1-8H,9-10H2,(H,19,21,23)