4-[(E)-anthracen-9-ylmethylideneamino]-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(E)-anthracen-9-ylmethylideneamino]-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[(E)-9-anthrylmethyleneamino]-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(E)-9-anthracenylmethylideneamino]-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(E)-anthracen-9-ylmethylideneamino]-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[(E)-9-anthrylmethyleneamino]-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate Formula: C23H14ClN4S- MolecularWeight: 413.90206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NN4C(=NN=C4[S-])C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/N4C(=NN=C4[S-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H15ClN4S/c24-18-11-9-15(10-12-18)22-26-27-23(29)28(22)25-14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14H,(H,27,29)/p-1/b25-14+