5-(2-bromophenyl)-4-[(Z)-(4-pentoxyphenyl)methylideneamino]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(2-bromophenyl)-4-[(Z)-(4-pentoxyphenyl)methylideneamino]-1,2,4-triazole-3-thiolate Openeye Name: 5-(2-bromophenyl)-4-[(Z)-(4-pentoxyphenyl)methyleneamino]-1,2,4-triazole-3-thiolate CAS Name: 5-(2-bromophenyl)-4-[(Z)-(4-pentoxyphenyl)methylideneamino]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(2-bromophenyl)-4-[(Z)-(4-pentoxyphenyl)methylideneamino]-1,2,4-triazole-3-thiolate Traditional Name: 4-[(Z)-(4-amoxybenzylidene)amino]-5-(2-bromophenyl)-1,2,4-triazole-3-thiolate Formula: C20H20BrN4OS- MolecularWeight: 444.368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C(=NN=C2[S-])C3=CC=CC=C3Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N\N2C(=NN=C2[S-])C3=CC=CC=C3Br

InChI

InChI=1S/C20H21BrN4OS/c1-2-3-6-13-26-16-11-9-15(10-12-16)14-22-25-19(23-24-20(25)27)17-7-4-5-8-18(17)21/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,24,27)/p-1/b22-14-