1-(3,4-dimethylphenyl)-2-[(1-pyridin-3-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[(1-pyridin-3-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(3,4-dimethylphenyl)-2-[1-(3-pyridyl)tetrazol-5-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dimethylphenyl)-2-[[1-(3-pyridinyl)-5-tetrazolyl]thio]ethanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-(1-pyridin-3-yltetrazol-5-yl)sulfanylethanone Traditional Name: 1-(3,4-dimethylphenyl)-2-[[1-(3-pyridyl)tetrazol-5-yl]thio]ethanone Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=NN2C3=CN=CC=C3)C

InChI

InChI=1S/C16H15N5OS/c1-11-5-6-13(8-12(11)2)15(22)10-23-16-18-19-20-21(16)14-4-3-7-17-9-14/h3-9H,10H2,1-2H3