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

Systemtic Name: 4-(3-methoxyphenyl)-3-undecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-methoxyphenyl)-3-undecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methoxyphenyl)-3-undecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methoxyphenyl)-3-undecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-methoxyphenyl)-3-undecyl-1H-1,2,4-triazole-5-thione Formula: C20H31N3OS MolecularWeight: 361.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NNC(=S)N1C2=CC(=CC=C2)OC

Isomeric SMILES

CCCCCCCCCCCC1=NNC(=S)N1C2=CC(=CC=C2)OC

InChI

InChI=1S/C20H31N3OS/c1-3-4-5-6-7-8-9-10-11-15-19-21-22-20(25)23(19)17-13-12-14-18(16-17)24-2/h12-14,16H,3-11,15H2,1-2H3,(H,22,25)