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

Systemtic Name: 4-methyl-3-propan-2-ylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-isopropylsulfanyl-4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-methyl-3-(propan-2-ylthio)-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-propan-2-ylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-(isopropylthio)-4-methyl-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)SC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H22N4O2S2/c1-12(2)23-16-18-17-15(19(16)3)13-6-8-14(9-7-13)24(21,22)20-10-4-5-11-20/h6-9,12H,4-5,10-11H2,1-3H3