4-(azanylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 4-(azanylmethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 4-(aminomethylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 4-(aminomethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 4-(aminomethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 4-(aminomethylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C12H7F3N4OS MolecularWeight: 312.27039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CN)C(=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=CN)C(=N3)C(F)(F)F

InChI

InChI=1S/C12H7F3N4OS/c13-12(14,15)9-6(5-16)10(20)19(18-9)11-17-7-3-1-2-4-8(7)21-11/h1-5H,16H2