N-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-tert-butylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C21H28N4OS/c1-13(19(26)22-16-9-7-15(8-10-16)21(2,3)4)27-20-24-23-18(14-5-6-14)25(20)17-11-12-17/h7-10,13-14,17H,5-6,11-12H2,1-4H3,(H,22,26)