5-azanyl-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile Formula: C12H9N5OS MolecularWeight: 271.29776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3C(=C(C=N3)C#N)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C12H9N5OS/c1-18-8-2-3-9-10(4-8)19-12(16-9)17-11(14)7(5-13)6-15-17/h2-4,6H,14H2,1H3