4-cyclopropyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclopropyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(1,3-diphenylpyrazol-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H19N5OS/c27-20-22-23-21(26(20)18-11-12-18)28-14-16-13-25(17-9-5-2-6-10-17)24-19(16)15-7-3-1-4-8-15/h1-10,13,18H,11-12,14H2,(H,22,27)