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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)S[C@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3S/c1-12(17(24)19-15-10-6-7-11-16(15)23(25)26)27-18-21-20-13(2)22(18)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,19,24)/t12-/m1/s1