4-[3-(2-phenoxyethylsulfanylmethyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-(2-phenoxyethylsulfanylmethyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-(2-phenoxyethylsulfanylmethyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[(2-phenoxyethylthio)methyl]-4-phenyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-(2-phenoxyethylsulfanylmethyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(2-phenoxyethylthio)methyl]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=C3C=CC(=O)C=C3)CSCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=C3C=CC(=O)C=C3)CSCCOC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c27-20-13-11-18(12-14-20)23-25-24-22(26(23)19-7-3-1-4-8-19)17-29-16-15-28-21-9-5-2-6-10-21/h1-14,25H,15-17H2