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

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(3,5-dimethylphenoxy)ethylthio]-5-(2-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(3,5-dimethylphenoxy)ethylthio]-5-(2-furyl)-1,2,4-triazol-4-yl]amine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=CO3)C

InChI

InChI=1S/C16H18N4O2S/c1-11-8-12(2)10-13(9-11)21-6-7-23-16-19-18-15(20(16)17)14-4-3-5-22-14/h3-5,8-10H,6-7,17H2,1-2H3