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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazol-4-amine Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazol-4-amine CAS Name: 3-[(3-bromophenyl)methylthio]-5-phenethyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazol-4-amine Traditional Name: [3-[(3-bromobenzyl)thio]-5-phenethyl-1,2,4-triazol-4-yl]amine Formula: C17H17BrN4S MolecularWeight: 389.31268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H17BrN4S/c18-15-8-4-7-14(11-15)12-23-17-21-20-16(22(17)19)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12,19H2