5-[(4-bromophenyl)methylsulfanyl]-1-(3,4-dimethylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-[(4-bromophenyl)methylsulfanyl]-1-(3,4-dimethylphenyl)-1,2,3,4-tetrazole Openeye Name: 5-[(4-bromophenyl)methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole CAS Name: 5-[(4-bromophenyl)methylthio]-1-(3,4-dimethylphenyl)tetrazole IUPAC Name: 5-[(4-bromophenyl)methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole Traditional Name: 5-[(4-bromobenzyl)thio]-1-(3,4-dimethylphenyl)tetrazole Formula: C16H15BrN4S MolecularWeight: 375.2861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C16H15BrN4S/c1-11-3-8-15(9-12(11)2)21-16(18-19-20-21)22-10-13-4-6-14(17)7-5-13/h3-9H,10H2,1-2H3