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

Systemtic Name: 2-chloranyl-5-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-nitro-benzamide CAS Name: 2-chloro-5-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-nitrobenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-chloro-5-nitro-benzamide Formula: C16H11ClN4O3S2 MolecularWeight: 406.86654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O3S2/c17-13-7-6-11(21(23)24)8-12(13)14(22)18-15-19-20-16(26-15)25-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19,22)