1-[3-[(4-bromanylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea

Systemtic Name: 1-[3-[(4-bromanylphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-[3-[(4-bromophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea CAS Name: 1-[3-[(4-bromophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea IUPAC Name: 1-[3-[(4-bromophenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea Traditional Name: 1-[3-[(4-bromophenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea Formula: C16H14BrN5OS2 MolecularWeight: 436.34926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN2C(=NNC2=S)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NN2C(=NNC2=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)