3-bromanyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline

Systemtic Name: 3-bromanyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline Openeye Name: 3-bromo-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline CAS Name: 3-bromo-2-[(1H-1,2,4-triazol-5-ylthio)methyl]aniline IUPAC Name: 3-bromo-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)aniline Traditional Name: [3-bromo-2-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]amine Formula: C9H9BrN4S MolecularWeight: 285.16356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Br)CSC2=NC=NN2)N

Isomeric SMILES

C1=CC(=C(C(=C1)Br)CSC2=NC=NN2)N

InChI

InChI=1S/C9H9BrN4S/c10-7-2-1-3-8(11)6(7)4-15-9-12-5-13-14-9/h1-3,5H,4,11H2,(H,12,13,14)