2-chloranyl-7-methylsulfanyl-3-[[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-7-methylsulfanyl-3-[[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[5-(4-isopropylphenyl)tetrazol-2-yl]methyl]-7-methylsulfanyl-quinoline CAS Name: 2-chloro-7-(methylthio)-3-[[5-(4-propan-2-ylphenyl)-2-tetrazolyl]methyl]quinoline IUPAC Name: 2-chloro-7-methylsulfanyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]quinoline Traditional Name: 2-chloro-7-(methylthio)-3-[(5-p-cumenyltetrazol-2-yl)methyl]quinoline Formula: C21H20ClN5S MolecularWeight: 409.935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

InChI=1S/C21H20ClN5S/c1-13(2)14-4-6-15(7-5-14)21-24-26-27(25-21)12-17-10-16-8-9-18(28-3)11-19(16)23-20(17)22/h4-11,13H,12H2,1-3H3