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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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