N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[1-(4-nitrobenzyl)indol-3-yl]thio]acetamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-14-10-20(23-29-14)22-21(26)13-30-19-12-24(18-5-3-2-4-17(18)19)11-15-6-8-16(9-7-15)25(27)28/h2-10,12H,11,13H2,1H3,(H,22,23,26)