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

Systemtic Name: [1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl] N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-[1-(4-bromophenyl)-4-phenyl-6-thioxo-1,3,5-triazin-2-yl]-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic 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'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-[1-(4-bromophenyl)-4-phenyl-6-thioxo-s-triazin-2-yl]-3-(m-tolyl)isothiourea Formula: C23H18BrN5S2 MolecularWeight: 508.45652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SC2=NC(=NC(=S)N2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SC2=NC(=NC(=S)N2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrN5S2/c1-15-6-5-9-18(14-15)26-21(25)31-23-28-20(16-7-3-2-4-8-16)27-22(30)29(23)19-12-10-17(24)11-13-19/h2-14H,1H3,(H2,25,26)