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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(5-ethyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(5-ethyl-4-isopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C15H18ClN5O3S MolecularWeight: 383.85312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C(C)C)SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H18ClN5O3S/c1-4-13-18-19-15(20(13)9(2)3)25-8-14(22)17-10-5-6-11(16)12(7-10)21(23)24/h5-7,9H,4,8H2,1-3H3,(H,17,22)