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

Systemtic Name: 4-(indol-3-ylidenemethylamino)-3-[(4-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(indol-3-ylidenemethylamino)-3-[(4-isopropylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-indolylidenemethylamino)-3-[(4-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(indol-3-ylidenemethylamino)-3-[(4-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(indol-3-ylidenemethylamino)-3-[(4-isopropylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-14(2)15-7-9-17(10-8-15)27-13-20-24-25-21(28)26(20)23-12-16-11-22-19-6-4-3-5-18(16)19/h3-12,14,23H,13H2,1-2H3,(H,25,28)