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

Systemtic Name: 3-[4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(4-nitrophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(4-nitrobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyridine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C21H17N5O2S/c1-15-4-8-18(9-5-15)25-20(17-3-2-12-22-13-17)23-24-21(25)29-14-16-6-10-19(11-7-16)26(27)28/h2-13H,14H2,1H3