3-[(5-bromanylindol-1-yl)methyl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(5-bromanylindol-1-yl)methyl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(5-bromoindol-1-yl)methyl]-4-(1-naphthyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(5-bromo-1-indolyl)methyl]-4-(1-naphthalenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(5-bromoindol-1-yl)methyl]-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(5-bromoindol-1-yl)methyl]-4-(1-naphthyl)-1H-1,2,4-triazole-5-thione Formula: C21H15BrN4S MolecularWeight: 435.3396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NNC3=S)CN4C=CC5=C4C=CC(=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NNC3=S)CN4C=CC5=C4C=CC(=C5)Br

InChI

InChI=1S/C21H15BrN4S/c22-16-8-9-18-15(12-16)10-11-25(18)13-20-23-24-21(27)26(20)19-7-3-5-14-4-1-2-6-17(14)19/h1-12H,13H2,(H,24,27)