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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-13-6-7-14(2)18(11-13)23-20(27)15(3)28-21-25-24-19(26(21)17-8-9-17)16-5-4-10-22-12-16/h4-7,10-12,15,17H,8-9H2,1-3H3,(H,23,27)