1-[2-(3-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-(3-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(3-bromo-2-thienyl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(3-bromo-2-thiophenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(3-bromo-2-thienyl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C9H5BrN4OS MolecularWeight: 297.1312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1Br)C(=O)CN2C=NC(=N2)C#N

Isomeric SMILES

C1=CSC(=C1Br)C(=O)CN2C=NC(=N2)C#N

InChI

InChI=1S/C9H5BrN4OS/c10-6-1-2-16-9(6)7(15)4-14-5-12-8(3-11)13-14/h1-2,5H,4H2