N-[3-[3-[(2-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-[(2-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-[(2-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(2-bromophenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-[(2-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(2-bromobenzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C20H19BrN4OS MolecularWeight: 443.36006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC=CC=C3Br)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC=CC=C3Br)C4CC4

InChI

InChI=1S/C20H19BrN4OS/c1-13(26)22-16-6-4-7-17(11-16)25-19(14-9-10-14)23-24-20(25)27-12-15-5-2-3-8-18(15)21/h2-8,11,14H,9-10,12H2,1H3,(H,22,26)