3-ethylsulfanyl-4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-ethylsulfanyl-4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-ethylsulfanyl-4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-(ethylthio)-4-methyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-ethylsulfanyl-4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-(ethylthio)-4-methyl-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCSC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C15H20N4O2S2/c1-3-22-15-17-16-14(18(15)2)12-6-8-13(9-7-12)23(20,21)19-10-4-5-11-19/h6-9H,3-5,10-11H2,1-2H3