2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H17BrN4S MolecularWeight: 377.30198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H17BrN4S/c17-13-8-6-12(7-9-13)15-19-20-16(22-11-10-18)21(15)14-4-2-1-3-5-14/h6-9,14H,1-5,11H2