3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-propyl-1H-1,2,4-triazole Formula: C16H18ClN5S MolecularWeight: 347.86562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H18ClN5S/c1-3-7-14-18-16(20-19-14)23-10-13-11(2)21-22(15(13)17)12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20)