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

Systemtic Name: N-(2-chlorophenyl)-2-[methyl-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]amino]ethanamide Openeye Name: 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methyl-amino]-N-(2-chlorophenyl)acetamide CAS Name: N-(2-chlorophenyl)-2-[methyl-[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[methyl-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-methyl-amino]-N-(2-chlorophenyl)acetamide Formula: C21H21ClN6O2S MolecularWeight: 456.94844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H21ClN6O2S/c1-3-12-28-20(15-8-10-23-11-9-15)25-26-21(28)31-14-19(30)27(2)13-18(29)24-17-7-5-4-6-16(17)22/h3-11H,1,12-14H2,2H3,(H,24,29)