5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C16H13N7OS2 MolecularWeight: 383.45072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)N3C(=N2)C(=CN3)C#N)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)N3C(=N2)C(=CN3)C#N)C4=CC=CS4

InChI

InChI=1S/C16H13N7OS2/c1-2-22-15(12-4-3-5-25-12)20-21-16(22)26-9-11-6-13(24)23-14(19-11)10(7-17)8-18-23/h3-6,8,18H,2,9H2,1H3