1-[2-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-4-cyano-3-pyrazolyl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)-4-cyanopyrazol-3-yl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)-4-cyano-pyrazol-3-yl]-3-tosyl-urea Formula: C19H14N6O3S2 MolecularWeight: 438.48286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C19H14N6O3S2/c1-12-6-8-14(9-7-12)30(27,28)24-18(26)23-17-13(10-20)11-21-25(17)19-22-15-4-2-3-5-16(15)29-19/h2-9,11H,1H3,(H2,23,24,26)