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

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]pyridazine-4-carbonitrile Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-oxo-2-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-4-pyridazinecarbonitrile IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[(4-benzylsulfonylpiperazino)methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H23N5O3S/c1-15-16(2)21-24(19(25)18(15)12-20)14-22-8-10-23(11-9-22)28(26,27)13-17-6-4-3-5-7-17/h3-7H,8-11,13-14H2,1-2H3