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

Systemtic Name: N-(3-nitrophenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-nitrophenyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-nitrophenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-nitrophenyl)-2-[[4-phenethyl-5-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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