3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5,6-dimethyl-pyridazine-4-carbonitrile

Systemtic Name: 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5,6-dimethyl-pyridazine-4-carbonitrile Openeye Name: 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5,6-dimethyl-pyridazine-4-carbonitrile CAS Name: 3-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-5,6-dimethyl-4-pyridazinecarbonitrile IUPAC Name: 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile Traditional Name: 3-[4-(4-methoxyphenyl)sulfonylpiperazino]-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN=C1C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C(C(=NN=C1C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C18H21N5O3S/c1-13-14(2)20-21-18(17(13)12-19)22-8-10-23(11-9-22)27(24,25)16-6-4-15(26-3)5-7-16/h4-7H,8-11H2,1-3H3