2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C14H13BrN6S MolecularWeight: 377.26222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=NN2C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=NN2C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C14H13BrN6S/c1-9-7-10(2)17-14(16-9)22-8-13-18-19-20-21(13)12-5-3-11(15)4-6-12/h3-7H,8H2,1-2H3