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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C21H17N5O2S/c27-26(28)19-10-8-17(9-11-19)15-29-21-24-23-20(18-7-4-12-22-13-18)25(21)14-16-5-2-1-3-6-16/h1-13H,14-15H2