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

Systemtic Name: 2-nitro-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide CAS Name: 2-nitro-N-[5-(propan-2-ylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-nitro-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O3S2/c1-7(2)20-12-15-14-11(21-12)13-10(17)8-5-3-4-6-9(8)16(18)19/h3-7H,1-2H3,(H,13,14,17)