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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(2-bromophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(2-bromophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(2-bromophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(2-bromophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H13BrN4OS MolecularWeight: 401.28032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3Br

InChI

InChI=1S/C17H13BrN4OS/c1-23-13-8-6-12(7-9-13)22-16(14-4-2-3-5-15(14)18)20-21-17(22)24-11-10-19/h2-9H,11H2,1H3