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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C20H26N6OS/c1-15(19(27)25(14-8-13-21)17-11-6-3-7-12-17)28-20-24-23-18(26(20)22)16-9-4-2-5-10-16/h3,6-7,11-12,15-16H,2,4-5,8-10,14,22H2,1H3