4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C24H19BrN4S MolecularWeight: 475.40346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H19BrN4S/c25-22-12-10-21(11-13-22)23-27-28-24(29(23)15-14-18-4-2-1-3-5-18)30-17-20-8-6-19(16-26)7-9-20/h1-13H,14-15,17H2