(2R)-N-(4-cyanophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c1-14(20(27)23-17-11-7-15(13-22)8-12-17)28-21-24-19(16-9-10-16)26(25-21)18-5-3-2-4-6-18/h2-8,11-12,14,16H,9-10H2,1H3,(H,23,27)/t14-/m1/s1