1-(5-azanyl-1H-pyrazol-4-yl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 1-(5-azanyl-1H-pyrazol-4-yl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-(5-amino-1H-pyrazol-4-yl)-4-oxo-3-phenyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 1-(5-amino-1H-pyrazol-4-yl)-4-oxo-3-phenyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 1-(5-amino-1H-pyrazol-4-yl)-4-oxo-3-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 1-(5-amino-1H-pyrazol-4-yl)-4-keto-3-phenyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C14H10N6OS MolecularWeight: 310.3338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CN(C2=S)C3=C(NN=C3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CN(C2=S)C3=C(NN=C3)N)C#N

InChI

InChI=1S/C14H10N6OS/c15-6-9-8-19(11-7-17-18-12(11)16)14(22)20(13(9)21)10-4-2-1-3-5-10/h1-5,7-8H,(H3,16,17,18)