2-[3-(2-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[3-(2-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[3-(2-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[3-(2-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[3-(2-bromophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[3-(2-bromophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-N-(4-methoxyphenyl)acetamide Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3Br)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3Br)C4=CC=CC=C4

InChI

InChI=1S/C23H19BrN4O2S/c1-30-18-13-11-16(12-14-18)25-21(29)15-27-23(31)28(17-7-3-2-4-8-17)22(26-27)19-9-5-6-10-20(19)24/h2-14H,15H2,1H3,(H,25,29)