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

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C)C3CC3

InChI

InChI=1S/C16H19N5O3S/c1-9-6-12(13(21(23)24)7-10(9)2)17-14(22)8-25-16-19-18-15(20(16)3)11-4-5-11/h6-7,11H,4-5,8H2,1-3H3,(H,17,22)