2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NC)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S2/c1-7-3-4-8(5-9(7)16(18)19)10(17)6-20-12-15-14-11(13-2)21-12/h3-5H,6H2,1-2H3,(H,13,14)