4-(2-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N2C(=NNC2=S)CCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-21-15-10-6-5-9-14(15)20-16(18-19-17(20)22)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)