N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[1-(m-tolylmethyl)indol-3-yl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[1-[(3-methylphenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: 2-[[1-(3-methylbenzyl)indol-3-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NOC(=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NOC(=C4)C

InChI

InChI=1S/C22H21N3O2S/c1-15-6-5-7-17(10-15)12-25-13-20(18-8-3-4-9-19(18)25)28-14-22(26)23-21-11-16(2)27-24-21/h3-11,13H,12,14H2,1-2H3,(H,23,24,26)