5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[[1-(m-tolyl)imidazol-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[[1-(3-methylphenyl)-2-imidazolyl]thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-keto-5-[[[1-(m-tolyl)imidazol-2-yl]thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

InChI

InChI=1S/C18H14N6OS/c1-12-3-2-4-15(7-12)23-6-5-20-18(23)26-11-14-8-16(25)24-17(22-14)13(9-19)10-21-24/h2-8,10,21H,11H2,1H3