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

Systemtic Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: (2R)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C)C3CC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C)C3CC3

InChI

InChI=1S/C16H19N5O4S/c1-9(26-16-19-18-14(20(16)2)10-4-5-10)15(22)17-12-7-6-11(21(23)24)8-13(12)25-3/h6-10H,4-5H2,1-3H3,(H,17,22)/t9-/m1/s1