5-chloranyl-8-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinoline

Systemtic Name: 5-chloranyl-8-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinoline Openeye Name: 5-chloro-8-[(1-isopropyltetrazol-5-yl)sulfanylmethyl]quinoline CAS Name: 5-chloro-8-[[(1-propan-2-yl-5-tetrazolyl)thio]methyl]quinoline IUPAC Name: 5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline Traditional Name: 5-chloro-8-[[(1-isopropyltetrazol-5-yl)thio]methyl]quinoline Formula: C14H14ClN5S MolecularWeight: 319.81246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C14H14ClN5S/c1-9(2)20-14(17-18-19-20)21-8-10-5-6-12(15)11-4-3-7-16-13(10)11/h3-7,9H,8H2,1-2H3