2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(1-phenyl-4-pyrazolyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)vinyl]thio]acetic acid Formula: C20H15N3O2S2 MolecularWeight: 393.482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C(C3=NC4=CC=CC=C4S3)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C(/C3=NC4=CC=CC=C4S3)\SCC(=O)O

InChI

InChI=1S/C20H15N3O2S2/c24-19(25)13-26-18(20-22-16-8-4-5-9-17(16)27-20)10-14-11-21-23(12-14)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,25)/b18-10-