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

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H26N6OS/c23-13-7-15-27(16-8-14-24)20(29)17-30-22-25-21(18-9-3-1-4-10-18)28(26-22)19-11-5-2-6-12-19/h2,5-6,11-12,18H,1,3-4,7-10,15-17H2