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

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C24H17N5S3 MolecularWeight: 471.62028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H17N5S3/c25-14-17-8-4-5-9-18(17)15-30-23-28-27-22(29(23)19-10-2-1-3-11-19)16-31-24-26-20-12-6-7-13-21(20)32-24/h1-13H,15-16H2