[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[4-(2-hydroxyphenyl)carbonylpyrazol-1-yl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[4-(2-hydroxyphenyl)carbonylpyrazol-1-yl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[4-(2-hydroxybenzoyl)pyrazol-1-yl]methanone CAS Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-[4-[(2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[4-(2-hydroxybenzoyl)pyrazol-1-yl]methanone Traditional Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-(4-salicyloylpyrazol-1-yl)methanone Formula: C25H17N3O3S2 MolecularWeight: 471.55078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CN(N=C2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CN(N=C2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C25H17N3O3S2/c29-21-7-3-1-5-19(21)23(30)18-13-26-28(14-18)24(31)17-11-9-16(10-12-17)15-32-25-27-20-6-2-4-8-22(20)33-25/h1-14,29H,15H2