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

Systemtic Name: (2R)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: (2R)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: (2R)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: (2R)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C)C3CCCCC3

InChI

InChI=1S/C18H23N5O3S/c1-12(17(24)19-14-8-10-15(11-9-14)23(25)26)27-18-21-20-16(22(18)2)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,19,24)/t12-/m1/s1