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

Systemtic Name: 2-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(4-bromophenyl)-5-tetrazolyl]methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[1-(4-bromophenyl)tetrazol-5-yl]methylthio]-4,6-dimethyl-nicotinonitrile Formula: C16H13BrN6S MolecularWeight: 401.28362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=NN=NN2C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=NN=NN2C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C16H13BrN6S/c1-10-7-11(2)19-16(14(10)8-18)24-9-15-20-21-22-23(15)13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3