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

Systemtic Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C14H14N4O3S2 MolecularWeight: 350.41596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3S2/c1-8-2-3-9(6-11(8)18(20)21)12(19)7-22-14-17-16-13(23-14)15-10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,16)