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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-5-nitro-phenyl)acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-5-nitro-phenyl)acetamide Formula: C15H16ClN5O3S MolecularWeight: 381.83724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H16ClN5O3S/c1-3-7-20-13(4-2)18-19-15(20)25-9-14(22)17-12-8-10(21(23)24)5-6-11(12)16/h3,5-6,8H,1,4,7,9H2,2H3,(H,17,22)