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

Systemtic Name: 4-[[5-(1-azanylbutyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(1-aminobutyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(1-aminobutyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(1-aminobutyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(1-aminobutyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2CCCO2)SCC3=CC=C(C=C3)C#N)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2CCCO2)SCC3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C19H25N5OS/c1-2-4-17(21)18-22-23-19(24(18)12-16-5-3-10-25-16)26-13-15-8-6-14(11-20)7-9-15/h6-9,16-17H,2-5,10,12-13,21H2,1H3