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

Systemtic Name: 4-ethyl-3-(2-methylpropylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-isobutylsulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(2-methylpropylthio)-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(2-methylpropylsulfanyl)-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(isobutylthio)-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C18H26N4O2S2 MolecularWeight: 394.55464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H26N4O2S2/c1-4-22-17(19-20-18(22)25-13-14(2)3)15-8-7-9-16(12-15)26(23,24)21-10-5-6-11-21/h7-9,12,14H,4-6,10-11,13H2,1-3H3