2-[[5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-benzyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-benzyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-benzyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O2S/c24-14-19-9-4-5-10-20(19)16-31-23-26-25-22(18-11-6-12-21(13-18)28(29)30)27(23)15-17-7-2-1-3-8-17/h1-13H,15-16H2