1-(1,3-benzothiazol-2-yl)-3-[(3-chloranyl-2-methyl-phenyl)amino]-6,7-dihydro-5H-indazol-4-one

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[(3-chloranyl-2-methyl-phenyl)amino]-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(3-chloro-2-methyl-anilino)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(3-chloro-2-methylanilino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(3-chloro-2-methylanilino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(3-chloro-2-methyl-anilino)-6,7-dihydro-5H-indazol-4-one Formula: C21H17ClN4OS MolecularWeight: 408.90388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H17ClN4OS/c1-12-13(22)6-4-8-14(12)23-20-19-16(9-5-10-17(19)27)26(25-20)21-24-15-7-2-3-11-18(15)28-21/h2-4,6-8,11H,5,9-10H2,1H3,(H,23,25)