4-(indol-3-ylidenemethylamino)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(indol-3-ylidenemethylamino)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(indol-3-ylidenemethylamino)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3-indolylidenemethylamino)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(indol-3-ylidenemethylamino)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(indol-3-ylidenemethylamino)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C20H18N5O3S- MolecularWeight: 408.45362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2NC=C3C=NC4=CC=CC=C43)[S-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2NC=C3C=NC4=CC=CC=C43)[S-]

InChI

InChI=1S/C20H19N5O3S/c1-26-16-8-12(9-17(27-2)18(16)28-3)19-23-24-20(29)25(19)22-11-13-10-21-15-7-5-4-6-14(13)15/h4-11,22H,1-3H3,(H,24,29)/p-1