3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[3-(3,5-dimethylphenoxy)propylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[3-(3,5-dimethylphenoxy)propylthio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSC2=NN=C(N2N)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSC2=NN=C(N2N)C3=CC=CO3)C

InChI

InChI=1S/C17H20N4O2S/c1-12-9-13(2)11-14(10-12)22-7-4-8-24-17-20-19-16(21(17)18)15-5-3-6-23-15/h3,5-6,9-11H,4,7-8,18H2,1-2H3