3-[(2,6-dimethylphenoxy)methyl]-4-(indol-3-ylidenemethylamino)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2,6-dimethylphenoxy)methyl]-4-(indol-3-ylidenemethylamino)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2,6-dimethylphenoxy)methyl]-4-(indol-3-ylidenemethylamino)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2,6-dimethylphenoxy)methyl]-4-(3-indolylidenemethylamino)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2,6-dimethylphenoxy)methyl]-4-(indol-3-ylidenemethylamino)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2,6-dimethylphenoxy)methyl]-4-(indol-3-ylidenemethylamino)-1H-1,2,4-triazole-5-thione Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NNC(=S)N2NC=C3C=NC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NNC(=S)N2NC=C3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H19N5OS/c1-13-6-5-7-14(2)19(13)26-12-18-23-24-20(27)25(18)22-11-15-10-21-17-9-4-3-8-16(15)17/h3-11,22H,12H2,1-2H3,(H,24,27)