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

Systemtic Name: 4-[4-(2-methylpropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-isobutyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(2-methylpropyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(2-methylpropyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-isobutyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C18H19N5O2S/c1-13(2)11-22-17(15-7-9-19-10-8-15)20-21-18(22)26-12-14-3-5-16(6-4-14)23(24)25/h3-10,13H,11-12H2,1-2H3