4-[5-[(3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[5-[(3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-allyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(3-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(3-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-allyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C17H15N5O2S MolecularWeight: 353.3983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C17H15N5O2S/c1-2-10-21-16(14-6-8-18-9-7-14)19-20-17(21)25-12-13-4-3-5-15(11-13)22(23)24/h2-9,11H,1,10,12H2