[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl] N'-phenylcarbamimidothioate

Systemtic Name: [1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl] N'-phenylcarbamimidothioate Openeye Name: 2-[1-(4-bromophenyl)-4-phenyl-6-thioxo-1,3,5-triazin-2-yl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid [1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl] N'-phenylcarbamimidothioate Traditional Name: 2-[1-(4-bromophenyl)-4-phenyl-6-thioxo-s-triazin-2-yl]-3-phenyl-isothiourea Formula: C22H16BrN5S2 MolecularWeight: 494.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)N(C(=N2)SC(=NC3=CC=CC=C3)N)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)N(C(=N2)SC(=NC3=CC=CC=C3)N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN5S2/c23-16-11-13-18(14-12-16)28-21(29)26-19(15-7-3-1-4-8-15)27-22(28)30-20(24)25-17-9-5-2-6-10-17/h1-14H,(H2,24,25)