2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)C5=CC=CS5

InChI

InChI=1S/C21H17N3OS2/c25-18(16-8-7-14-4-1-2-5-15(14)12-16)13-27-21-23-22-20(19-6-3-11-26-19)24(21)17-9-10-17/h1-8,11-12,17H,9-10,13H2