2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide Formula: C19H18BrN5OS MolecularWeight: 444.34812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

InChI

InChI=1S/C19H18BrN5OS/c1-12-9-14(20)5-8-17(12)27-11-18(26)21-15-4-2-3-13(10-15)19-22-23-24-25(19)16-6-7-16/h2-5,8-10,16H,6-7,11H2,1H3,(H,21,26)