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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-bromophenyl)methylthio]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-bromobenzyl)thio]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-yl]amine Formula: C18H15BrN6S MolecularWeight: 427.3209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H15BrN6S/c19-14-8-6-12(7-9-14)11-26-18-24-23-17(25(18)20)16-10-15(21-22-16)13-4-2-1-3-5-13/h1-10H,11,20H2,(H,21,22)