N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C25H31N5O3S2 MolecularWeight: 513.67534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SC)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H31N5O3S2/c1-4-18-9-8-10-19(5-2)23(18)30-22(27-28-25(30)34-3)17-26-24(31)20-11-13-21(14-12-20)35(32,33)29-15-6-7-16-29/h8-14H,4-7,15-17H2,1-3H3,(H,26,31)