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

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-4-yl-ethanamide Openeye Name: 2-[[4-benzyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyridyl)acetamide CAS Name: 2-[[5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-pyridin-4-ylacetamide IUPAC Name: 2-[[4-benzyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-4-ylacetamide Traditional Name: 2-[[4-benzyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyridyl)acetamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O3S/c29-20(24-18-9-11-23-12-10-18)15-32-22-26-25-21(17-7-4-8-19(13-17)28(30)31)27(22)14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,23,24,29)