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

Systemtic Name: 3-[4-(2-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(3-nitrophenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2-methylphenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(3-nitrobenzyl)thio]-4-(o-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=CC=C1N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

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