4-(2,4-dimethylphenyl)-3-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(2,4-dimethylphenyl)-3-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2,4-dimethylphenyl)-3-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,2,4-triazole CAS Name: 4-(2,4-dimethylphenyl)-3-[3-(1-methyl-4-pyrazolyl)propylthio]-1,2,4-triazole IUPAC Name: 4-(2,4-dimethylphenyl)-3-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2,4-dimethylphenyl)-3-[3-(1-methylpyrazol-4-yl)propylthio]-1,2,4-triazole Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCCCC3=CN(N=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCCCC3=CN(N=C3)C)C

InChI

InChI=1S/C17H21N5S/c1-13-6-7-16(14(2)9-13)22-12-18-20-17(22)23-8-4-5-15-10-19-21(3)11-15/h6-7,9-12H,4-5,8H2,1-3H3