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

Systemtic Name: N-(3-cyanophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-cyanophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-cyanophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-cyanophenyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-cyanophenyl)-2-[(5-cyclopropyl-4-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=CC(=C1)C#N)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

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