3-azanylidene-2-[4-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-pyridazin-1-ium-1-yl]prop-2-enenitrile

Systemtic Name: 3-azanylidene-2-[4-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-pyridazin-1-ium-1-yl]prop-2-enenitrile Openeye Name: 3-imino-2-[3-phenyl-4-(p-tolylsulfonylmethyl)pyridazin-1-ium-1-yl]prop-2-enenitrile CAS Name: 3-imino-2-[4-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-1-pyridazin-1-iumyl]-2-propenenitrile IUPAC Name: 3-imino-2-[4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazin-1-ium-1-yl]prop-2-enenitrile Traditional Name: 3-imino-2-[3-phenyl-4-(tosylmethyl)pyridazin-1-ium-1-yl]acrylonitrile Formula: C21H17N4O2S+ MolecularWeight: 389.45028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N=[N+](C=C2)C(=C=N)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N=[N+](C=C2)C(=C=N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H17N4O2S/c1-16-7-9-20(10-8-16)28(26,27)15-18-11-12-25(19(13-22)14-23)24-21(18)17-5-3-2-4-6-17/h2-12,22H,15H2,1H3/q+1