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

Systemtic Name: N-(4-butylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCC)C3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCC)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5OS/c1-3-5-6-17-7-9-19(10-8-17)24-20(28)16-29-22-26-25-21(27(22)15-4-2)18-11-13-23-14-12-18/h7-14H,3-6,15-16H2,1-2H3,(H,24,28)