2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenoxy)-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenoxy)-5,6,7,8-tetrahydroquinazoline Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenoxy)-5,6,7,8-tetrahydroquinazoline CAS Name: 2-[(2-chlorophenyl)methylthio]-4-(4-methoxyphenoxy)-5,6,7,8-tetrahydroquinazoline IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenoxy)-5,6,7,8-tetrahydroquinazoline Traditional Name: 2-[(2-chlorobenzyl)thio]-4-(4-methoxyphenoxy)-5,6,7,8-tetrahydroquinazoline Formula: C22H21ClN2O2S MolecularWeight: 412.93234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=NC(=NC3=C2CCCC3)SCC4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)OC2=NC(=NC3=C2CCCC3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN2O2S/c1-26-16-10-12-17(13-11-16)27-21-18-7-3-5-9-20(18)24-22(25-21)28-14-15-6-2-4-8-19(15)23/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3