4-[(E)-anthracen-9-ylmethylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-9-anthrylmethyleneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-9-anthracenylmethylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-9-anthrylmethyleneamino]-3-p-phenetyl-1H-1,2,4-triazole-5-thione Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C25H20N4OS/c1-2-30-20-13-11-17(12-14-20)24-27-28-25(31)29(24)26-16-23-21-9-5-3-7-18(21)15-19-8-4-6-10-22(19)23/h3-16H,2H2,1H3,(H,28,31)/b26-16+