N-(2-bromanyl-4-nitro-phenyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H16BrN5O3S2 MolecularWeight: 494.38534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)CC4=CC=CS4

InChI

InChI=1S/C18H16BrN5O3S2/c19-14-8-12(24(26)27)5-6-15(14)20-17(25)10-29-18-22-21-16(23(18)11-3-4-11)9-13-2-1-7-28-13/h1-2,5-8,11H,3-4,9-10H2,(H,20,25)