5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid

Systemtic Name: 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid Openeye Name: 5-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid CAS Name: 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1-naphthalenesulfonic acid IUPAC Name: 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid Traditional Name: 5-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)naphthalene-1-sulfonic acid Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=S)N1C2=CC=CC3=C2C=CC=C3S(=O)(=O)O)(C)C

Isomeric SMILES

CC1=CC(NC(=S)N1C2=CC=CC3=C2C=CC=C3S(=O)(=O)O)(C)C

InChI

InChI=1S/C17H18N2O3S2/c1-11-10-17(2,3)18-16(23)19(11)14-8-4-7-13-12(14)6-5-9-15(13)24(20,21)22/h4-10H,1-3H3,(H,18,23)(H,20,21,22)