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

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-2-(thian-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-2-tetrahydrothiopyran-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3-chloro-4-methoxyphenyl)-2-(4-thianyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-2-(thian-4-yl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-2-tetrahydrothiopyran-4-yl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCSCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCSCC4)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-25-18-7-6-13(12-17(18)21)19-15-4-2-3-5-16(15)20(24)23(22-19)14-8-10-26-11-9-14/h2-3,6-7,12,14-16H,4-5,8-11H2,1H3