N-[3-(1,3-dithian-2-yl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(p-tolyl)isoxazole-5-carboxamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(4-methylphenyl)-5-isoxazolecarboxamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(p-tolyl)isoxazole-5-carboxamide Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C21H20N2O2S2/c1-14-6-8-15(9-7-14)18-13-19(25-23-18)20(24)22-17-5-2-4-16(12-17)21-26-10-3-11-27-21/h2,4-9,12-13,21H,3,10-11H2,1H3,(H,22,24)