2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CCCCC3)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CCCCC3)C)C

InChI

InChI=1S/C19H25N5O3S/c1-12-9-10-16(24(26)27)18(13(12)2)20-17(25)11-28-19-22-21-14(3)23(19)15-7-5-4-6-8-15/h9-10,15H,4-8,11H2,1-3H3,(H,20,25)