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

Systemtic Name: 3-[[5-(1-azanylpropyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(1-aminopropyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(1-aminopropyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(1-aminopropyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(1-aminopropyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5OS/c1-2-16(20)17-21-22-18(23(17)11-15-7-4-8-24-15)25-12-14-6-3-5-13(9-14)10-19/h3,5-6,9,15-16H,2,4,7-8,11-12,20H2,1H3