N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H20N6OS MolecularWeight: 380.4667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C19H20N6OS/c20-10-4-12-24(13-5-11-21)17(26)14-27-19-22-18(15-8-9-15)25(23-19)16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-9,12-14H2