2-(4-azanyl-3-prop-2-enyl-5H-1,3-thiazol-3-ium-2-ylidene)-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-(4-azanyl-3-prop-2-enyl-5H-1,3-thiazol-3-ium-2-ylidene)-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(3-allyl-4-amino-5H-thiazol-3-ium-2-ylidene)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(4-amino-3-prop-2-enyl-5H-thiazol-3-ium-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(4-amino-3-prop-2-enyl-5H-1,3-thiazol-3-ium-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-(3-allyl-4-amino-3-thiazolin-3-ium-2-ylidene)-2-tosyl-acetonitrile Formula: C15H16N3O2S2+ MolecularWeight: 334.43644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C2[N+](=C(CS2)N)CC=C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=C2[N+](=C(CS2)N)CC=C)C#N

InChI

InChI=1S/C15H15N3O2S2/c1-3-8-18-14(17)10-21-15(18)13(9-16)22(19,20)12-6-4-11(2)5-7-12/h3-7,17H,1,8,10H2,2H3/p+1