N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(3-nitrophenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20BrN5O3S MolecularWeight: 490.3735

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN5O3S/c1-3-9-25-19(14-5-4-6-16(11-14)26(28)29)23-24-20(25)30-12-18(27)22-17-8-7-15(21)10-13(17)2/h4-8,10-11H,3,9,12H2,1-2H3,(H,22,27)