(2R)-N-(4-cyanophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N5OS/c1-13(17(24)21-15-9-7-14(11-19)8-10-15)25-18-20-12-23(22-18)16-5-3-2-4-6-16/h2-10,12-13H,1H3,(H,21,24)/t13-/m1/s1