N-(4-phenoxyphenyl)-2-[(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-[(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-phenoxyphenyl)-2-[[5-(2-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-phenoxyphenyl)-2-[[5-(2-pyridinyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-phenoxyphenyl)-2-[(5-pyridin-2-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-phenoxyphenyl)-2-[[5-(2-pyridyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H20N6O2S MolecularWeight: 468.5303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N4C=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N4C=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C25H20N6O2S/c32-23(27-19-11-13-21(14-12-19)33-20-8-2-1-3-9-20)18-34-25-29-28-24(22-10-4-5-15-26-22)31(25)30-16-6-7-17-30/h1-17H,18H2,(H,27,32)