3-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2,3-dimethylphenoxy)methyl]-4-(2-furylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2,3-dimethylphenoxy)methyl]-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2,3-dimethylphenoxy)methyl]-4-(2-furfuryl)-1H-1,2,4-triazole-5-thione Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=NNC(=S)N2CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=NNC(=S)N2CC3=CC=CO3)C

InChI

InChI=1S/C16H17N3O2S/c1-11-5-3-7-14(12(11)2)21-10-15-17-18-16(22)19(15)9-13-6-4-8-20-13/h3-8H,9-10H2,1-2H3,(H,18,22)