5-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[(1-amino-4-phenyl-imidazol-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[(1-amino-4-phenyl-2-imidazolyl)thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[(1-amino-4-phenylimidazol-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[(1-amino-4-phenyl-imidazol-2-yl)thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C17H13N7OS MolecularWeight: 363.39642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=N2)SCC3=CC(=O)N4C(=N3)C(=CN4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=N2)SCC3=CC(=O)N4C(=N3)C(=CN4)C#N)N

InChI

InChI=1S/C17H13N7OS/c18-7-12-8-20-24-15(25)6-13(21-16(12)24)10-26-17-22-14(9-23(17)19)11-4-2-1-3-5-11/h1-6,8-9,20H,10,19H2