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

Systemtic Name: 4-(4-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methoxyphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-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=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3

InChI

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