3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanenitrile

Systemtic Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanenitrile Openeye Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanenitrile CAS Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanenitrile IUPAC Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanenitrile Traditional Name: 3-[1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]propionitrile Formula: C14H12N4OS MolecularWeight: 284.33628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CCC#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CCC#N

InChI

InChI=1S/C14H12N4OS/c1-9-10(5-4-8-15)13(19)18(17-9)14-16-11-6-2-3-7-12(11)20-14/h2-3,6-7,17H,4-5H2,1H3