3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-thienyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(5-chloro-2-thiophenyl)methylthio]-4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-thienyl)methylthio]-4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C19H21ClN4O2S3 MolecularWeight: 469.04364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(S2)Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(S2)Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H21ClN4O2S3/c1-2-24-18(21-22-19(24)27-13-15-8-9-17(20)28-15)14-6-5-7-16(12-14)29(25,26)23-10-3-4-11-23/h5-9,12H,2-4,10-11,13H2,1H3