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

Systemtic Name: (2R)-2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: (2R)-2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: (2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: (2R)-2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C18H18N6OS2 MolecularWeight: 398.50512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C18H18N6OS2/c1-13(17(25)23(11-6-10-19)14-7-3-2-4-8-14)27-18-22-21-16(24(18)20)15-9-5-12-26-15/h2-5,7-9,12-13H,6,11,20H2,1H3/t13-/m1/s1