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

Systemtic Name: N-[3-[3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(4-bromophenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(4-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=C(C=C3)Br)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4CC4

InChI

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