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

Systemtic Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide 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)C(C)SC2=NN=C(N2C)C3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C)C3CCCCC3

InChI

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