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

Systemtic Name: 2-[[5-(4-bromanyl-5-ethyl-thiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-bromo-5-ethyl-2-thiophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-bromo-5-ethyl-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H13BrN4S2 MolecularWeight: 357.29242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=NN=C(N2CC)SCC#N)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2=NN=C(N2CC)SCC#N)Br

InChI

InChI=1S/C12H13BrN4S2/c1-3-9-8(13)7-10(19-9)11-15-16-12(17(11)4-2)18-6-5-14/h7H,3-4,6H2,1-2H3