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

Systemtic Name: 3-[1-[[bis(2-cyanoethyl)amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[[bis(2-cyanoethyl)amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[[bis(2-cyanoethyl)amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[[bis(2-cyanoethyl)amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[[bis(2-cyanoethyl)amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C13H19N7OS MolecularWeight: 321.40126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(CCC#N)CCC#N)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)CN(CCC#N)CCC#N)CCC(=O)N

InChI

InChI=1S/C13H19N7OS/c1-18-12(5-4-11(16)21)17-20(13(18)22)10-19(8-2-6-14)9-3-7-15/h2-5,8-10H2,1H3,(H2,16,21)