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

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H14ClN5O3S MolecularWeight: 367.81066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C14H14ClN5O3S/c1-19-13(8-2-3-8)17-18-14(19)24-7-12(21)16-9-4-5-10(15)11(6-9)20(22)23/h4-6,8H,2-3,7H2,1H3,(H,16,21)