3-(2-ethoxyethylsulfanyl)-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-(2-ethoxyethylsulfanyl)-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-(2-ethoxyethylsulfanyl)-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-(2-ethoxyethylthio)-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-(2-ethoxyethylsulfanyl)-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-(2-ethoxyethylthio)-4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N4O3S2/c1-2-29-15-16-30-22-24-23-21(26(22)19-10-4-3-5-11-19)18-9-8-12-20(17-18)31(27,28)25-13-6-7-14-25/h3-5,8-12,17H,2,6-7,13-16H2,1H3