4-chloranyl-3-nitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-chloro-3-nitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-chloro-3-nitro-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-chloro-3-nitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-chloro-3-nitro-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C12H11ClN4O3S2 MolecularWeight: 358.82374

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClN4O3S2/c1-2-5-21-12-16-15-11(22-12)14-10(18)7-3-4-8(13)9(6-7)17(19)20/h3-4,6H,2,5H2,1H3,(H,14,15,18)