2-[[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[1-(4-bromophenyl)-4-phenyl-6-thioxo-1,3,5-triazin-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl]thio]butanedioic acid IUPAC Name: 2-[[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[1-(4-bromophenyl)-4-phenyl-6-thioxo-s-triazin-2-yl]thio]succinic acid Formula: C19H14BrN3O4S2 MolecularWeight: 492.36616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3O4S2/c20-12-6-8-13(9-7-12)23-18(28)21-16(11-4-2-1-3-5-11)22-19(23)29-14(17(26)27)10-15(24)25/h1-9,14H,10H2,(H,24,25)(H,26,27)