6-(4-tert-butylphenyl)sulfanyl-2-(4-methoxyphenyl)-5-methyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 6-(4-tert-butylphenyl)sulfanyl-2-(4-methoxyphenyl)-5-methyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 6-(4-tert-butylphenyl)sulfanyl-2-(4-methoxyphenyl)-5-methyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 6-[(4-tert-butylphenyl)thio]-2-(4-methoxyphenyl)-5-methyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 6-(4-tert-butylphenyl)sulfanyl-2-(4-methoxyphenyl)-5-methyl-3-oxopyridazine-4-carbonitrile Traditional Name: 6-[(4-tert-butylphenyl)thio]-3-keto-2-(4-methoxyphenyl)-5-methyl-pyridazine-4-carbonitrile Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1SC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1SC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C23H23N3O2S/c1-15-20(14-24)22(27)26(17-8-10-18(28-5)11-9-17)25-21(15)29-19-12-6-16(7-13-19)23(2,3)4/h6-13H,1-5H3