2-[[5-(1-benzofuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitropyridin-2-yl)ethanamide

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitropyridin-2-yl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitro-2-pyridyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-nitro-2-pyridinyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitropyridin-2-yl)acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]thio]-N-(5-nitro-2-pyridyl)acetamide Formula: C24H18N6O4S MolecularWeight: 486.50252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)[N+](=O)[O-])C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)[N+](=O)[O-])C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H18N6O4S/c31-22(26-21-11-10-18(13-25-21)30(32)33)15-35-24-28-27-23(29(24)14-16-6-2-1-3-7-16)20-12-17-8-4-5-9-19(17)34-20/h1-13H,14-15H2,(H,25,26,31)