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

Systemtic Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H18N4S2 MolecularWeight: 414.54582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CSC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CSC4=CC=CC=C4

InChI

InChI=1S/C23H18N4S2/c24-15-18-9-7-8-10-19(18)16-29-23-26-25-22(17-28-21-13-5-2-6-14-21)27(23)20-11-3-1-4-12-20/h1-14H,16-17H2