S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] pyridine-4-carbothioate

Systemtic Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] pyridine-4-carbothioate Openeye Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] pyridine-4-carbothioate CAS Name: 4-pyridinecarbothioic acid S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-2-pyrimidin-1-iumyl] ester IUPAC Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylpyrimidin-1-ium-2-yl] pyridine-4-carbothioate Traditional Name: pyridine-4-carbothioic acid S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] ester Formula: C26H21N4OS2+ MolecularWeight: 469.60114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)SC(=O)C4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=CC=CC=C3S2)C)SC(=O)C4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N4OS2/c1-18-16-20(17-24-29(2)22-10-6-7-11-23(22)32-24)28-26(30(18)21-8-4-3-5-9-21)33-25(31)19-12-14-27-15-13-19/h3-17H,1-2H3/q+1