2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinoline

Systemtic Name: 2-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinoline Openeye Name: 2-[[1-(o-tolyl)tetrazol-5-yl]sulfanylmethyl]quinoline CAS Name: 2-[[[1-(2-methylphenyl)-5-tetrazolyl]thio]methyl]quinoline IUPAC Name: 2-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]quinoline Traditional Name: 2-[[[1-(o-tolyl)tetrazol-5-yl]thio]methyl]quinoline Formula: C18H15N5S MolecularWeight: 333.4102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H15N5S/c1-13-6-2-5-9-17(13)23-18(20-21-22-23)24-12-15-11-10-14-7-3-4-8-16(14)19-15/h2-11H,12H2,1H3