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

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(2-naphthyl)ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23N3OS/c1-15-22-23-21(24(15)19-9-3-2-4-10-19)26-14-20(25)18-12-11-16-7-5-6-8-17(16)13-18/h5-8,11-13,19H,2-4,9-10,14H2,1H3