sodium 1-(4-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-thiourea

Systemtic Name: sodium 1-(4-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-thiourea Openeye Name: sodium 1-(4-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-thiourea CAS Name: sodium 1-(4-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonylthiourea IUPAC Name: sodium 1-(4-cyanophenyl)-1-(2,4,6-trimethylphenyl)sulfonylthiourea Traditional Name: sodium 1-(4-cyanophenyl)-1-mesitylsulfonyl-thiourea Formula: C17H17N3NaO2S2+ MolecularWeight: 382.45555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S2.Na/c1-11-8-12(2)16(13(3)9-11)24(21,22)20(17(19)23)15-6-4-14(10-18)5-7-15;/h4-9H,1-3H3,(H2,19,23);/q;+1