2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(1-naphthylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(1-naphthalenylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(1-naphthylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C27H20N4S MolecularWeight: 432.5395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H20N4S/c28-18-22-10-4-5-11-23(22)19-32-27-30-29-26(31(27)24-14-2-1-3-15-24)17-21-13-8-12-20-9-6-7-16-25(20)21/h1-16H,17,19H2