3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylthio]-4-methyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-(m-anisylthio)-4-methyl-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O3S2/c1-24-20(22-23-21(24)29-15-16-6-5-7-18(14-16)28-2)17-8-10-19(11-9-17)30(26,27)25-12-3-4-13-25/h5-11,14H,3-4,12-13,15H2,1-2H3