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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C3CC3

InChI

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