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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H23N5O2S/c1-3-14-26-20(17-9-11-22-12-10-17)24-25-21(26)29-15-19(27)23-13-8-16-4-6-18(28-2)7-5-16/h3-7,9-12H,1,8,13-15H2,2H3,(H,23,27)