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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(2-methylanilino)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(2-methylanilino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(2-methylanilino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(o-toluidino)-6,7-dihydro-5H-indazol-4-one Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC=C1NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N4OS/c1-13-7-2-3-8-14(13)22-20-19-16(10-6-11-17(19)26)25(24-20)21-23-15-9-4-5-12-18(15)27-21/h2-5,7-9,12H,6,10-11H2,1H3,(H,22,24)