2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-phenylpropyl)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NCCCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NCCCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5OS/c27-19(23-12-4-7-16-5-2-1-3-6-16)15-28-21-25-24-20(26(21)18-8-9-18)17-10-13-22-14-11-17/h1-3,5-6,10-11,13-14,18H,4,7-9,12,15H2,(H,23,27)