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

Systemtic Name: 3-[2-cyanoethyl-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[4-cyclohexyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[4-cyclohexyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propionitrile Formula: C20H26N6S2 MolecularWeight: 414.59064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)CN(CCC#N)CCC#N)CC3=CC=CS3

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)CN(CCC#N)CCC#N)CC3=CC=CS3

InChI

InChI=1S/C20H26N6S2/c21-10-5-12-24(13-6-11-22)16-25-20(27)26(17-7-2-1-3-8-17)19(23-25)15-18-9-4-14-28-18/h4,9,14,17H,1-3,5-8,12-13,15-16H2