4-[[2-(2-chloranyl-4-methoxy-phenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline

Systemtic Name: 4-[[2-(2-chloranyl-4-methoxy-phenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline Openeye Name: 4-[[2-(2-chloro-4-methoxy-phenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline CAS Name: 4-[[2-(2-chloro-4-methoxyphenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methylthio]aniline IUPAC Name: 4-[[2-(2-chloro-4-methoxyphenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline Traditional Name: [4-[[2-(2-chloro-4-methoxy-phenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylthio]phenyl]amine Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2(OCC(O2)CSC3=CC=C(C=C3)N)CN4C=CN=C4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)C2(OCC(O2)CSC3=CC=C(C=C3)N)CN4C=CN=C4)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-26-16-4-7-19(20(22)10-16)21(13-25-9-8-24-14-25)27-11-17(28-21)12-29-18-5-2-15(23)3-6-18/h2-10,14,17H,11-13,23H2,1H3