6-azanyl-2-oxidanylidene-5-(thiophen-2-ylmethylideneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile

Systemtic Name: 6-azanyl-2-oxidanylidene-5-(thiophen-2-ylmethylideneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile Openeye Name: 6-amino-2-oxo-5-(2-thienylmethyleneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile CAS Name: 6-amino-2-oxo-5-(thiophen-2-ylmethylideneamino)-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinecarbonitrile IUPAC Name: 6-amino-2-oxo-5-(thiophen-2-ylmethylideneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile Traditional Name: 6-amino-2-keto-5-(2-thenylideneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile Formula: C17H10F3N5OS MolecularWeight: 389.35441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC=CS3)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC=CS3)N)C(F)(F)F

InChI

InChI=1S/C17H10F3N5OS/c18-17(19,20)10-3-1-4-11(7-10)25-15(22)14(13(8-21)24-16(25)26)23-9-12-5-2-6-27-12/h1-7,9H,22H2