2-(1,3-benzothiazol-6-yl)-4-(3-chloranyl-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 2-(1,3-benzothiazol-6-yl)-4-(3-chloranyl-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-(1,3-benzothiazol-6-yl)-4-(3-chloro-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-(1,3-benzothiazol-6-yl)-4-(3-chloro-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-(1,3-benzothiazol-6-yl)-4-(3-chloro-4-methoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-(1,3-benzothiazol-6-yl)-4-(3-chloro-4-methoxy-phenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC5=C(C=C4)N=CS5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC5=C(C=C4)N=CS5)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-28-19-9-6-13(10-17(19)23)21-15-4-2-3-5-16(15)22(27)26(25-21)14-7-8-18-20(11-14)29-12-24-18/h2-3,6-12,15-16H,4-5H2,1H3