3-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(m-tolyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-methylphenyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(m-tolyl)-4-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H17N3OS/c1-15-6-5-7-16(14-15)20-22-23-21(26)24(20)17-10-12-19(13-11-17)25-18-8-3-2-4-9-18/h2-14H,1H3,(H,23,26)