2-[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]ethanamide

Systemtic Name: 2-[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]ethanamide Openeye Name: 2-[[2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide CAS Name: 2-[[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]acetamide IUPAC Name: 2-[[2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide Traditional Name: 2-[[2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC(=O)N)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O3S/c1-27-14-4-2-13(3-5-14)24-17(12-6-8-20-9-7-12)22-23-18(24)28-11-16(26)21-10-15(19)25/h2-9H,10-11H2,1H3,(H2,19,25)(H,21,26)