3-[[5-(1-azanylbutyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(1-azanylbutyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(1-aminobutyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile CAS Name: 3-[[5-(1-aminobutyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile IUPAC Name: 3-[[5-(1-aminobutyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile Traditional Name: 3-[[5-(1-aminobutyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzonitrile Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2CCCO2)S(=O)(=O)CC3=CC=CC(=C3)C#N)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2CCCO2)S(=O)(=O)CC3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C19H25N5O3S/c1-2-5-17(21)18-22-23-19(24(18)12-16-8-4-9-27-16)28(25,26)13-15-7-3-6-14(10-15)11-20/h3,6-7,10,16-17H,2,4-5,8-9,12-13,21H2,1H3