N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-pyridin-3-yl-methanimine

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-pyridin-3-yl-methanimine Openeye Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-isopropyl-1,2,4-triazol-4-yl]-1-(3-pyridyl)methanimine CAS Name: N-[3-[(4-bromophenyl)methylthio]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-(3-pyridinyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-yl]-1-pyridin-3-ylmethanimine Traditional Name: (E)-[3-[(4-bromobenzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]-(3-pyridylmethylene)amine Formula: C18H18BrN5S MolecularWeight: 416.33802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N=CC2=CN=CC=C2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C1=NN=C(N1/N=C/C2=CN=CC=C2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN5S/c1-13(2)17-22-23-18(25-12-14-5-7-16(19)8-6-14)24(17)21-11-15-4-3-9-20-10-15/h3-11,13H,12H2,1-2H3/b21-11+