5-[5-[2,6-bis(chloranyl)-4-methyl-phenyl]sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenethylsulfanylcarbonylamino)pentanoic acid

Systemtic Name: 5-[5-[2,6-bis(chloranyl)-4-methyl-phenyl]sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenethylsulfanylcarbonylamino)pentanoic acid Openeye Name: 5-[5-(2,6-dichloro-4-methyl-phenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(phenethylsulfanylcarbonylamino)pentanoic acid CAS Name: 5-[5-[(2,6-dichloro-4-methylphenyl)thio]-1-tetrazolyl]-4-oxo-3-[[oxo-(phenethylthio)methyl]amino]pentanoic acid IUPAC Name: 5-[5-(2,6-dichloro-4-methylphenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(phenethylsulfanylcarbonylamino)pentanoic acid Traditional Name: 5-[5-[(2,6-dichloro-4-methyl-phenyl)thio]tetrazol-1-yl]-4-keto-3-[(phenethylthio)carbonylamino]valeric acid Formula: C22H21Cl2N5O4S2 MolecularWeight: 554.46924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)SCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)SCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H21Cl2N5O4S2/c1-13-9-15(23)20(16(24)10-13)35-21-26-27-28-29(21)12-18(30)17(11-19(31)32)25-22(33)34-8-7-14-5-3-2-4-6-14/h2-6,9-10,17H,7-8,11-12H2,1H3,(H,25,33)(H,31,32)