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

Systemtic Name: 4-ethyl-3-(3-methoxy-1-methyl-pyrazol-4-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazole CAS Name: 4-ethyl-3-(3-methoxy-1-methyl-4-pyrazolyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-ethyl-5-(3-methoxy-1-methylpyrazol-4-yl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-ethyl-5-(3-methoxy-1-methyl-pyrazol-4-yl)-1,2,4-triazole Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CN(N=C3OC)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CN(N=C3OC)C

InChI

InChI=1S/C16H19N5OS/c1-4-21-14(13-10-20(2)19-15(13)22-3)17-18-16(21)23-11-12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3