N-[(4-ethoxyphenyl)methyl]-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-ethoxyphenyl)methyl]-N-methyl-acetamide CAS Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethoxybenzyl)-N-methyl-acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C22H25N5O2S/c1-4-14-27-21(18-10-12-23-13-11-18)24-25-22(27)30-16-20(28)26(3)15-17-6-8-19(9-7-17)29-5-2/h4,6-13H,1,5,14-16H2,2-3H3