[5-[oxidanyl(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] (E)-N-phenylazanylbenzenecarboximidothioate

Systemtic Name: [5-[oxidanyl(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] (E)-N-phenylazanylbenzenecarboximidothioate Openeye Name: [5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] (E)-N-anilinobenzenecarboximidothioate CAS Name: (E)-N-anilinobenzenecarboximidothioic acid [5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] ester IUPAC Name: [5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] (E)-N-anilinobenzenecarboximidothioate Traditional Name: (E)-N-anilinobenzenecarboximidothioic acid [5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl] ester Formula: C28H23N5OS MolecularWeight: 477.58012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NN=C(N2C3=CC=CC=C3)SC(=NNC4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=NN=C(N2C3=CC=CC=C3)S/C(=N/NC4=CC=CC=C4)/C5=CC=CC=C5)O

InChI

InChI=1S/C28H23N5OS/c34-25(21-13-5-1-6-14-21)26-30-32-28(33(26)24-19-11-4-12-20-24)35-27(22-15-7-2-8-16-22)31-29-23-17-9-3-10-18-23/h1-20,25,29,34H/b31-27+