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

Systemtic Name: N-(2-nitrophenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-nitrophenyl)-2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-nitrophenyl)-2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-nitrophenyl)-2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C23H20N6O3S/c30-21(25-19-10-4-5-11-20(19)29(31)32)16-33-23-27-26-22(18-9-6-13-24-15-18)28(23)14-12-17-7-2-1-3-8-17/h1-11,13,15H,12,14,16H2,(H,25,30)