2-[[5-(4-bromanyl-5-ethyl-thiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(4-bromanyl-5-ethyl-thiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(4-bromo-5-ethyl-2-thiophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C18H18BrN5O3S2 MolecularWeight: 496.40122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=NN=C(N2CC)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=C(C=C(S1)C2=NN=C(N2CC)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H18BrN5O3S2/c1-3-14-13(19)9-15(29-14)17-21-22-18(23(17)4-2)28-10-16(25)20-11-5-7-12(8-6-11)24(26)27/h5-9H,3-4,10H2,1-2H3,(H,20,25)