2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C19H17BrN4S MolecularWeight: 413.33408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C#N)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN4S/c1-14(13-21)25-19-23-22-18(16-7-9-17(20)10-8-16)24(19)12-11-15-5-3-2-4-6-15/h2-10,14H,11-12H2,1H3