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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[(3-methylphenyl)amino]-6,7-dihydro-5H-indazol-4-one Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one CAS Name: 1-(1,3-benzothiazol-2-yl)-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-(3-methylanilino)-6,7-dihydro-5H-indazol-4-one Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-(m-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=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C3=C2C(=O)CCC3)C4=NC5=CC=CC=C5S4

InChI

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