5-[(4-bromanylphenoxy)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-bromanylphenoxy)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromophenoxy)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-5-[(4-bromophenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromophenoxy)methyl]-4-(phenylcarbamothioylamino)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromophenoxy)methyl]-4-(phenylthiocarbamoylamino)-1,2,4-triazole-3-thiolate Formula: C16H13BrN5OS2- MolecularWeight: 435.34132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NN2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN5OS2/c17-11-6-8-13(9-7-11)23-10-14-19-20-16(25)22(14)21-15(24)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,20,25)(H2,18,21,24)/p-1