N-(4-chloranyl-3-nitro-phenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[[4-prop-2-enyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C18H15ClN6O3S MolecularWeight: 430.8681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C18H15ClN6O3S/c1-2-9-24-17(14-5-3-4-8-20-14)22-23-18(24)29-11-16(26)21-12-6-7-13(19)15(10-12)25(27)28/h2-8,10H,1,9,11H2,(H,21,26)