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

Systemtic Name: 4-methyl-3-nitro-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-isopropylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[5-(propan-2-ylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methyl-3-nitro-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(isopropylthio)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S2/c1-7(2)21-13-16-15-12(22-13)14-11(18)9-5-4-8(3)10(6-9)17(19)20/h4-7H,1-3H3,(H,14,15,18)