2-ethanimidoyl-4-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C20H24N6O2S MolecularWeight: 412.50856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)N3CCCCC3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)N3CCCCC3

InChI

InChI=1S/C20H24N6O2S/c1-14(22)15(12-21)17(27)13-29-20-24-23-19(25-10-6-3-7-11-25)26(20)16-8-4-5-9-18(16)28-2/h4-5,8-9,15,22H,3,6-7,10-11,13H2,1-2H3