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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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