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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)SC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

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