N-cyclohexyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-cyclohexyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-cyclohexyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-cyclohexyl-5-[(2-methyl-3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-cyclohexyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: cyclohexyl-[5-[(2-methyl-3-nitro-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(S2)NC3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(S2)NC3CCCCC3

InChI

InChI=1S/C16H20N4O2S2/c1-11-12(6-5-9-14(11)20(21)22)10-23-16-19-18-15(24-16)17-13-7-3-2-4-8-13/h5-6,9,13H,2-4,7-8,10H2,1H3,(H,17,18)