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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H12ClN5O3S MolecularWeight: 353.78408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1N2C=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN5O3S/c14-10-5-9(19(21)22)3-4-11(10)16-12(20)6-23-13-17-15-7-18(13)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,20)