2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitropyridin-2-yl)ethanamide

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitropyridin-2-yl)ethanamide Openeye Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitro-2-pyridyl)acetamide CAS Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(5-nitro-2-pyridinyl)acetamide IUPAC Name: 2-[[5-(3-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitropyridin-2-yl)acetamide Traditional Name: 2-[[4-allyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(5-nitro-2-pyridyl)acetamide Formula: C18H15N7O5S MolecularWeight: 441.4206

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N7O5S/c1-2-8-23-17(12-4-3-5-13(9-12)24(27)28)21-22-18(23)31-11-16(26)20-15-7-6-14(10-19-15)25(29)30/h2-7,9-10H,1,8,11H2,(H,19,20,26)