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

Systemtic Name: 2-chloranyl-5-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-nitro-benzamide CAS Name: 2-chloro-5-nitro-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-chloro-5-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-chloro-5-nitro-benzamide Formula: C12H9ClN4O3S2 MolecularWeight: 356.80786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H9ClN4O3S2/c1-2-5-21-12-16-15-11(22-12)14-10(18)8-6-7(17(19)20)3-4-9(8)13/h2-4,6H,1,5H2,(H,14,15,18)