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

Systemtic Name: 3-[2-cyanoethyl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]amino]propionitrile Formula: C13H14N6S2 MolecularWeight: 318.42046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=S)N(N2)CN(CCC#N)CCC#N

Isomeric SMILES

C1=CSC(=C1)C2=NC(=S)N(N2)CN(CCC#N)CCC#N

InChI

InChI=1S/C13H14N6S2/c14-5-2-7-18(8-3-6-15)10-19-13(20)16-12(17-19)11-4-1-9-21-11/h1,4,9H,2-3,7-8,10H2,(H,16,17,20)