2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-(4-methoxyphenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5-(4-methoxyphenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1CC2CCCO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C#N)SC1=NN=C(N1CC2CCCO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H20N4O2S/c1-12(10-18)24-17-20-19-16(13-5-7-14(22-2)8-6-13)21(17)11-15-4-3-9-23-15/h5-8,12,15H,3-4,9,11H2,1-2H3