2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-cyclohexylphenyl)ethanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-cyclohexylphenyl)ethanone Formula: C29H35N3OS MolecularWeight: 473.6727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C29H35N3OS/c1-5-19-32-27(24-15-17-25(18-16-24)29(2,3)4)30-31-28(32)34-20-26(33)23-13-11-22(12-14-23)21-9-7-6-8-10-21/h5,11-18,21H,1,6-10,19-20H2,2-4H3