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

Systemtic Name: 3-[2-cyanoethyl-[[4-(2-methoxyethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[4-(2-methoxyethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[[4-(2-methoxyethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[[4-(2-methoxyethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[4-(2-methoxyethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propionitrile Formula: C12H18N6OS MolecularWeight: 294.37592

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NN(C1=S)CN(CCC#N)CCC#N

Isomeric SMILES

COCCN1C=NN(C1=S)CN(CCC#N)CCC#N

InChI

InChI=1S/C12H18N6OS/c1-19-9-8-17-10-15-18(12(17)20)11-16(6-2-4-13)7-3-5-14/h10H,2-3,6-9,11H2,1H3