3-[(3-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-isopropyl-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenyl)methylthio]-5-propan-2-yl-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromobenzyl)thio]-5-isopropyl-1,2,4-triazol-4-yl]amine Formula: C12H15BrN4S MolecularWeight: 327.2433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H15BrN4S/c1-8(2)11-15-16-12(17(11)14)18-7-9-4-3-5-10(13)6-9/h3-6,8H,7,14H2,1-2H3