2-[5-[(3-bromophenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-[(3-bromophenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[4-benzyl-5-[(3-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(3-bromophenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[4-benzyl-5-[(3-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[4-benzyl-5-[(3-bromobenzyl)thio]-1,2,4-triazol-3-yl]ethylamine Formula: C18H19BrN4S MolecularWeight: 403.33926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=CC=C3)Br)CCN

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=CC=C3)Br)CCN

InChI

InChI=1S/C18H19BrN4S/c19-16-8-4-7-15(11-16)13-24-18-22-21-17(9-10-20)23(18)12-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13,20H2