5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[(3-hydroxyphenyl)amino]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[(3-hydroxyphenyl)amino]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-hydroxyanilino)pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-hydroxyanilino)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-hydroxyanilino)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-hydroxyanilino)pyrazole-4-carbonitrile Formula: C17H12N6OS MolecularWeight: 348.38178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C(=N3)NC4=CC(=CC=C4)O)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C(=N3)NC4=CC(=CC=C4)O)C#N)N

InChI

InChI=1S/C17H12N6OS/c18-9-12-15(19)23(17-21-13-6-1-2-7-14(13)25-17)22-16(12)20-10-4-3-5-11(24)8-10/h1-8,24H,19H2,(H,20,22)