5,6-dimethyl-2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-2-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]-3-oxo-pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-3-oxopyridazine-4-carbonitrile Traditional Name: 3-keto-2-[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(=O)C2=C(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(=O)C2=C(C3=CC=CC=C3S2)C)C#N

InChI

InChI=1S/C18H15N3O2S/c1-10-12(3)20-21(18(23)14(10)8-19)9-15(22)17-11(2)13-6-4-5-7-16(13)24-17/h4-7H,9H2,1-3H3