6-azanyl-1-[3,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 6-azanyl-1-[3,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 6-amino-1-[3,5-bis(trifluoromethyl)phenyl]-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 6-amino-1-[3,5-bis(trifluoromethyl)phenyl]-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 6-amino-1-[3,5-bis(trifluoromethyl)phenyl]-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 6-amino-1-[3,5-bis(trifluoromethyl)phenyl]-2-thioxo-pyrimidine-5-carbonitrile Formula: C13H6F6N4S MolecularWeight: 364.268959

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)N2C(=C(C=NC2=S)C#N)N)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)N2C(=C(C=NC2=S)C#N)N)C(F)(F)F

InChI

InChI=1S/C13H6F6N4S/c14-12(15,16)7-1-8(13(17,18)19)3-9(2-7)23-10(21)6(4-20)5-22-11(23)24/h1-3,5H,21H2