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

Systemtic Name: 3-[2-cyanoethyl-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propionitrile Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(CCC#N)CCC#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN(C1=S)CN(CCC#N)CCC#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H20N6OS/c1-21-16(14-5-7-15(24-2)8-6-14)20-23(17(21)25)13-22(11-3-9-18)12-4-10-19/h5-8H,3-4,11-13H2,1-2H3