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

Systemtic Name: 3-[5-[(3-nitrophenyl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2-isopropylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(3-nitrophenyl)methylthio]-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(3-nitrophenyl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(3-nitrobenzyl)thio]-4-o-cumenyl-1,2,4-triazol-3-yl]pyridine Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-16(2)20-10-3-4-11-21(20)27-22(18-8-6-12-24-14-18)25-26-23(27)31-15-17-7-5-9-19(13-17)28(29)30/h3-14,16H,15H2,1-2H3