N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(4-methoxyphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)acetamide Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H19N5O2S2/c1-28-17-6-4-16(5-7-17)26(13-18-3-2-12-29-18)19(27)14-30-21-23-20(24-25-21)15-8-10-22-11-9-15/h2-12H,13-14H2,1H3,(H,23,24,25)