3-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 3-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 3-(3-methoxy-1-methyl-4-pyrazolyl)-4-methyl-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 3-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 3-(3-methoxy-1-methyl-pyrazol-4-yl)-4-methyl-5-(phenethylthio)-1,2,4-triazole Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C(=N1)OC)C2=NN=C(N2C)SCCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5OS/c1-20-11-13(15(19-20)22-3)14-17-18-16(21(14)2)23-10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3