N-[(4-bromanylthiophen-2-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline

Systemtic Name: N-[(4-bromanylthiophen-2-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-[(4-bromo-2-thienyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-[(4-bromo-2-thiophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-[(4-bromothiophen-2-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: (4-bromo-2-thienyl)methyl-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C13H11BrN4S2 MolecularWeight: 367.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=CC(=CS2)Br)SC3=NC=NN3

Isomeric SMILES

C1=CC(=CC=C1NCC2=CC(=CS2)Br)SC3=NC=NN3

InChI

InChI=1S/C13H11BrN4S2/c14-9-5-12(19-7-9)6-15-10-1-3-11(4-2-10)20-13-16-8-17-18-13/h1-5,7-8,15H,6H2,(H,16,17,18)