2-[[4-azanyl-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone

Systemtic Name: 2-[[4-azanyl-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone Openeye Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone CAS Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]thio]-1-(4-cyclohexylphenyl)ethanone IUPAC Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone Traditional Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]thio]-1-(4-cyclohexylphenyl)ethanone Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN=C(N1N)SCC(=O)C2=CC=C(C=C2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(CC1=NN=C(N1N)SCC(=O)C2=CC=C(C=C2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-18(19-8-4-2-5-9-19)16-24-27-28-25(29(24)26)31-17-23(30)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,18,20H,3,6-7,10-11,16-17,26H2,1H3