3-[(3,5-dimethylphenoxy)methyl]-4-[(2-methylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3,5-dimethylphenoxy)methyl]-4-[(2-methylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3,5-dimethylphenoxy)methyl]-4-[(2-methylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,5-dimethylphenoxy)methyl]-4-[(2-methyl-3-indolylidene)methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3,5-dimethylphenoxy)methyl]-4-[(2-methylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(3,5-dimethylphenoxy)methyl]-4-[(2-methylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-13-8-14(2)10-16(9-13)27-12-20-24-25-21(28)26(20)22-11-18-15(3)23-19-7-5-4-6-17(18)19/h4-11,22H,12H2,1-3H3,(H,25,28)