N-[4-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]naphthalene-1-carboxamide

Systemtic Name: N-[4-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]naphthalene-1-carboxamide Openeye Name: N-[4-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]naphthalene-1-carboxamide CAS Name: N-[4-[5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]phenyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]naphthalene-1-carboxamide Traditional Name: N-[4-[5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]-1-naphthamide Formula: C27H21BrN4OS MolecularWeight: 529.45084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H21BrN4OS/c1-32-25(30-31-27(32)34-17-18-9-13-21(28)14-10-18)20-11-15-22(16-12-20)29-26(33)24-8-4-6-19-5-2-3-7-23(19)24/h2-16H,17H2,1H3,(H,29,33)