5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(1,3-diphenylpyrazol-4-yl)methylthio]-1H-1,2,4-triazole Formula: C18H15N5S MolecularWeight: 333.4102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC=NN3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC3=NC=NN3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N5S/c1-3-7-14(8-4-1)17-15(12-24-18-19-13-20-21-18)11-23(22-17)16-9-5-2-6-10-16/h1-11,13H,12H2,(H,19,20,21)