4-ethyl-3-propan-2-ylsulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-propan-2-ylsulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-isopropylsulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(propan-2-ylthio)-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-propan-2-ylsulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(isopropylthio)-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C17H24N4O2S2 MolecularWeight: 380.52806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H24N4O2S2/c1-4-21-16(18-19-17(21)24-13(2)3)14-8-7-9-15(12-14)25(22,23)20-10-5-6-11-20/h7-9,12-13H,4-6,10-11H2,1-3H3