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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

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