3-(3,5-dimethylpyrazol-1-yl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-5-(3-phenoxypropylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-(3,5-dimethylpyrazol-1-yl)-5-(3-phenoxypropylthio)-1,2,4-triazol-4-yl]amine Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(N2N)SCCCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(N2N)SCCCOC3=CC=CC=C3)C

InChI

InChI=1S/C16H20N6OS/c1-12-11-13(2)22(20-12)15-18-19-16(21(15)17)24-10-6-9-23-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,17H2,1-2H3