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

Systemtic Name: 4-[4-(4-ethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-ethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-ethylphenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-ethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(4-ethylphenyl)-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C22H19N5O2S/c1-2-16-6-8-19(9-7-16)26-21(18-10-12-23-13-11-18)24-25-22(26)30-15-17-4-3-5-20(14-17)27(28)29/h3-14H,2,15H2,1H3