N-(2-butan-2-ylphenyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)propanamide CAS Name: N-(2-butan-2-ylphenyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)propionamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-4-15(2)19-9-5-6-10-20(19)25-22(29)16(3)30-23-27-26-21(28(23)18-11-12-18)17-8-7-13-24-14-17/h5-10,13-16,18H,4,11-12H2,1-3H3,(H,25,29)