3-(2-chlorophenyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol; methanesulfonic acid

Systemtic Name: 3-(2-chlorophenyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol; methanesulfonic acid Openeye Name: 3-(2-chlorophenyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol; methanesulfonic acid CAS Name: 3-(2-chlorophenyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-buten-2-ol; methanesulfonic acid IUPAC Name: 3-(2-chlorophenyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol; methanesulfonic acid Traditional Name: 3-(2-chlorophenyl)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol; mesylic acid Formula: C19H19Cl2N3O4S MolecularWeight: 456.34286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C=C(C1=CC=CC=C1Cl)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CS(=O)(=O)O.C=C(C1=CC=CC=C1Cl)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C18H15Cl2N3O.CH4O3S/c1-13(16-4-2-3-5-17(16)20)18(24,10-23-12-21-11-22-23)14-6-8-15(19)9-7-14;1-5(2,3)4/h2-9,11-12,24H,1,10H2;1H3,(H,2,3,4)