3-[2-cyanoethyl-[[4-(oxolan-2-ylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[[4-(oxolan-2-ylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[4-(tetrahydrofuran-2-ylmethyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[[4-(2-oxolanylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[[4-(oxolan-2-ylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[4-(tetrahydrofurfuryl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propionitrile Formula: C18H22N6OS2 MolecularWeight: 402.53688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN(C2=S)CN(CCC#N)CCC#N)C3=CC=CS3

Isomeric SMILES

C1CC(OC1)CN2C(=NN(C2=S)CN(CCC#N)CCC#N)C3=CC=CS3

InChI

InChI=1S/C18H22N6OS2/c19-7-3-9-22(10-4-8-20)14-24-18(26)23(13-15-5-1-11-25-15)17(21-24)16-6-2-12-27-16/h2,6,12,15H,1,3-5,9-11,13-14H2