5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-chlorophenyl)-4-phenyl-pyrazol-3-amine

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-chlorophenyl)-4-phenyl-pyrazol-3-amine Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-chlorophenyl)-4-phenyl-pyrazol-3-amine CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-chlorophenyl)-4-phenyl-3-pyrazolamine IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-chlorophenyl)-4-phenylpyrazol-3-amine Traditional Name: [5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-chlorophenyl)-4-phenyl-pyrazol-3-yl]amine Formula: C23H17ClN4S2 MolecularWeight: 448.99088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl)N

InChI

InChI=1S/C23H17ClN4S2/c24-16-10-12-17(13-11-16)28-22(25)21(15-6-2-1-3-7-15)19(27-28)14-29-23-26-18-8-4-5-9-20(18)30-23/h1-13H,14,25H2