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

Systemtic Name: 4-[[5-(1-azanylpropyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(1-aminopropyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(1-aminopropyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(1-aminopropyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[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=C(C=C3)C#N)N

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5OS/c1-2-16(20)17-21-22-18(23(17)11-15-4-3-9-24-15)25-12-14-7-5-13(10-19)6-8-14/h5-8,15-16H,2-4,9,11-12,20H2,1H3