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

Systemtic Name: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-9-anthrylmethyleneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-9-anthracenylmethylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-anthracen-9-ylmethylideneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-9-anthrylmethyleneamino]-3-(4-tert-butylphenyl)-1H-1,2,4-triazole-5-thione Formula: C27H24N4S MolecularWeight: 436.57126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4S/c1-27(2,3)21-14-12-18(13-15-21)25-29-30-26(32)31(25)28-17-24-22-10-6-4-8-19(22)16-20-9-5-7-11-23(20)24/h4-17H,1-3H3,(H,30,32)/b28-17+