methyl 4-phenyl-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 2-[(1-isopropyltetrazol-5-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 4-phenyl-2-[[(1-propan-2-yl-5-tetrazolyl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(1-isopropyltetrazol-5-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-14(2)27-22(24-25-26-27)30-13-18-20(21(28)29-3)19(15-9-5-4-6-10-15)16-11-7-8-12-17(16)23-18/h4-12,14H,13H2,1-3H3