2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3S2/c1-11-6-5-9-13(22(24)25)15(11)19-14(23)10-26-17-21-20-16(27-17)18-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,18,20)(H,19,23)