N-[3-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitro-phenyl)methanimine

Systemtic Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitro-phenyl)methanimine Openeye Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitro-phenyl)methanimine CAS Name: N-[3-[(4-bromophenyl)methylthio]-5-methyl-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitrophenyl)methanimine IUPAC Name: N-[3-[(4-bromophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitrophenyl)methanimine Traditional Name: (E)-[3-[(4-bromobenzyl)thio]-5-methyl-1,2,4-triazol-4-yl]-(4-methoxy-3-nitro-benzylidene)amine Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1/N=C/C2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN5O3S/c1-12-21-22-18(28-11-13-3-6-15(19)7-4-13)23(12)20-10-14-5-8-17(27-2)16(9-14)24(25)26/h3-10H,11H2,1-2H3/b20-10+