N-(5-acetamido-2-methoxy-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H22N6O3S/c1-4-11-27-20(15-7-9-22-10-8-15)25-26-21(27)31-13-19(29)24-17-12-16(23-14(2)28)5-6-18(17)30-3/h4-10,12H,1,11,13H2,2-3H3,(H,23,28)(H,24,29)