2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C16H17N3OS/c20-14(11-4-2-1-3-5-11)10-21-16-18-17-15(12-6-7-12)19(16)13-8-9-13/h1-5,12-13H,6-10H2