3-[5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]thiophen-2-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]thiophen-2-yl]-1H-pyridazin-6-one Openeye Name: 3-[5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2-thienyl]-1H-pyridazin-6-one CAS Name: 3-[5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2-thiophenyl]-1H-pyridazin-6-one IUPAC Name: 3-[5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]thiophen-2-yl]-1H-pyridazin-6-one Traditional Name: 3-[5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2-thienyl]-1H-pyridazin-6-one Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(S3)C4=NNC(=O)C=C4

Isomeric SMILES

CC1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(S3)C4=NNC(=O)C=C4

InChI

InChI=1S/C17H15N3O4S2/c1-11-10-20(13-4-2-3-5-14(13)24-11)26(22,23)17-9-7-15(25-17)12-6-8-16(21)19-18-12/h2-9,11H,10H2,1H3,(H,19,21)