2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C26H23N5O2S3 MolecularWeight: 533.68812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H23N5O2S3/c32-36(33,30-15-6-7-16-30)21-12-8-9-19(17-21)25-28-29-26(31(25)20-10-2-1-3-11-20)34-18-24-27-22-13-4-5-14-23(22)35-24/h1-5,8-14,17H,6-7,15-16,18H2