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

Systemtic Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C21H21N5O2S3 MolecularWeight: 471.61874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCN1C(=NN=C1SC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C21H21N5O2S3/c1-2-26-19(15-8-7-9-16(14-15)31(27,28)25-12-5-6-13-25)23-24-20(26)30-21-22-17-10-3-4-11-18(17)29-21/h3-4,7-11,14H,2,5-6,12-13H2,1H3